ZINC 12

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.13	0.61	-4.51	0	4	59	164.164	4	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	2.77	0.3	-7.73	2	4	65	164.164	2	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	2.77	0.44	-8.14	2	4	65	164.164	2	↓ MOL2 SDF SMILES Flexibase

56949

Analogs

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Popular Name: Benznidazole Benznidazole

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-1-O	Entamoeba Histolytica (cluster #1 Of 5), Other	Other	4270	0.40	Functional ≤ 10μM
Z50466-1-O	Trypanosoma Cruzi (cluster #1 Of 8), Other	Other	8970	0.37	Functional ≤ 10μM
Z50473-1-O	Plasmodium Berghei (cluster #1 Of 5), Other	Other	4070	0.40	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.78	8.49	-18.62	1	7	0	93	260.253	5	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	0.96	5.63	-19.78	1	7	0	96	260.253	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.78	8.96	-41.98	2	7	1	94	261.261	5	↓ MOL2 SDF SMILES Flexibase

113442

Analogs

31559575

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Popular Name: Metronidazole Metronidazole

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z103176-2-O	Entamoeba Invadens (cluster #2 Of 2), Other	Other	3000	0.64	Functional ≤ 10μM
Z50422-2-O	Entamoeba Histolytica (cluster #2 Of 5), Other	Other	771	0.71	Functional ≤ 10μM
Z50467-3-O	Trichomonas Vaginalis (cluster #3 Of 3), Other	Other	720	0.72	Functional ≤ 10μM
Z50468-1-O	Giardia Intestinalis (cluster #1 Of 4), Other	Other	5360	0.61	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.47	2.66	-8.36	1	6	0	84	171.156	3	↓ MOL2 SDF SMILES Flexibase

3956788

Analogs

5378904

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Popular Name: Nitazoxanide Nitazoxanide

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-1-O	Entamoeba Histolytica (cluster #1 Of 5), Other	Other	504	0.42	Functional ≤ 10μM
Z50424-1-O	Cryptosporidium Parvum (cluster #1 Of 2), Other	Other	3800	0.36	Functional ≤ 10μM
Z50461-2-O	Leishmania Mexicana (cluster #2 Of 3), Other	Other	6180	0.35	Functional ≤ 10μM
Z50467-1-O	Trichomonas Vaginalis (cluster #1 Of 3), Other	Other	68	0.48	Functional ≤ 10μM
Z50468-1-O	Giardia Intestinalis (cluster #1 Of 4), Other	Other	1214	0.39	Functional ≤ 10μM
Z50473-1-O	Plasmodium Berghei (cluster #1 Of 5), Other	Other	3890	0.36	Functional ≤ 10μM
Z50606-1-O	Hepatitis B Virus (cluster #1 Of 3), Other	Other	590	0.42	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.02	7.98	-18.51	1	8	0	114	307.287	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.54	6.55	-43.57	0	8	-1	120	306.279	5	↓ MOL2 SDF SMILES Flexibase

5924265

Analogs

5329781
4578540

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-2-O	Entamoeba Histolytica (cluster #2 Of 5), Other	Other	1229	0.46	Functional ≤ 10μM
Z50461-2-O	Leishmania Mexicana (cluster #2 Of 3), Other	Other	6190	0.41	Functional ≤ 10μM
Z50467-1-O	Trichomonas Vaginalis (cluster #1 Of 3), Other	Other	211	0.52	Functional ≤ 10μM
Z50468-1-O	Giardia Intestinalis (cluster #1 Of 4), Other	Other	716	0.48	Functional ≤ 10μM
Z50473-1-O	Plasmodium Berghei (cluster #1 Of 5), Other	Other	5240	0.41	Functional ≤ 10μM
Z50606-1-O	Hepatitis B Virus (cluster #1 Of 3), Other	Other	460	0.49	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.45	4.5	-15.06	2	7	0	108	265.25	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.45	5.5	-53.82	1	7	-1	111	264.242	3	↓ MOL2 SDF SMILES Flexibase

5632178

Analogs

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Scientific Exchange (make on demand)
- K-059337

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-1-O	Entamoeba Histolytica (cluster #1 Of 5), Other	Other	3515	0.31	Functional ≤ 10μM
Z50461-2-O	Leishmania Mexicana (cluster #2 Of 3), Other	Other	1350	0.33	Functional ≤ 10μM
Z50466-7-O	Trypanosoma Cruzi (cluster #7 Of 8), Other	Other	4890	0.30	Functional ≤ 10μM
Z50467-2-O	Trichomonas Vaginalis (cluster #2 Of 3), Other	Other	842	0.34	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	297	0.37	Functional ≤ 10μM
Z50473-4-O	Plasmodium Berghei (cluster #4 Of 5), Other	Other	2420	0.31	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.37	10.29	-18.57	1	8	0	114	357.347	5	↓ MOL2 SDF SMILES Flexibase

15773014

Analogs

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Florida Heterocyclic Compounds
- 15761
Ambinter
- Amb10562480

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-1-O	Entamoeba Histolytica (cluster #1 Of 5), Other	Other	8021	0.32	Functional ≤ 10μM
Z50467-2-O	Trichomonas Vaginalis (cluster #2 Of 3), Other	Other	2147	0.36	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	590	0.40	Functional ≤ 10μM
Z50473-4-O	Plasmodium Berghei (cluster #4 Of 5), Other	Other	2370	0.36	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.81	6.78	-15.07	2	7	0	108	315.31	3	↓ MOL2 SDF SMILES Flexibase

5425419

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
5HT3A-4-E	Serotonin 3a (5-HT3a) Receptor (cluster #4 Of 5), Eukaryotic	Eukaryotes	725	0.78	Binding ≤ 10μM
5HT3B-2-E	Serotonin 3b (5-HT3b) Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	725	0.78	Binding ≤ 10μM
5HT3C-2-E	Serotonin 3c (5-HT3c) Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	725	0.78	Binding ≤ 10μM
5HT3D-2-E	Serotonin 3d (5-HT3d) Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	725	0.78	Binding ≤ 10μM
5HT3E-2-E	Serotonin 3e (5-HT3e) Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	725	0.78	Binding ≤ 10μM
Z50422-3-O	Entamoeba Histolytica (cluster #3 Of 5), Other	Other	125	0.88	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	30	0.96	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.89	4.14	-11.24	3	3	0	55	167.599	0	↓ MOL2 SDF SMILES Flexibase

196688

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-3-O	Entamoeba Histolytica (cluster #3 Of 5), Other	Other	40	0.74	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	64	0.72	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.50	2.41	-7.69	0	2	0	18	200.163	1	↓ MOL2 SDF SMILES Flexibase

81227

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-3-O	Entamoeba Histolytica (cluster #3 Of 5), Other	Other	96	0.89	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	358	0.82	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.69	5.13	-7.53	1	2	0	29	187.029	0	↓ MOL2 SDF SMILES Flexibase

16889973

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-3-O	Entamoeba Histolytica (cluster #3 Of 5), Other	Other	114	0.97	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	1902	0.80	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.23	4.15	-27.68	4	3	1	56	134.162	0	↓ MOL2 SDF SMILES Flexibase

331902

Analogs

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Popular Name: Benzimidazole Benzimidazole

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-3-O	Entamoeba Histolytica (cluster #3 Of 5), Other	Other	42	1.15	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	8	1.26	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.43	4.16	-8.41	1	2	0	29	118.139	0	↓ MOL2 SDF SMILES Flexibase

164607

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-3-O	Entamoeba Histolytica (cluster #3 Of 5), Other	Other	7	1.14	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	317	0.91	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.52	3.99	-8.65	1	2	0	29	132.166	0	↓ MOL2 SDF SMILES Flexibase

17024254

Analogs

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Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-2-O	Entamoeba Histolytica (cluster #2 Of 5), Other	Other	6180	0.38	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.47	8.05	-9	2	3	0	36	297.355	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.15	7.7	-41.72	1	3	-1	37	296.347	4	↓ MOL2 SDF SMILES Flexibase

4269994

Analogs

4276791
4582976
4791991
5201514
5446624

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-5-O	Entamoeba Histolytica (cluster #5 Of 5), Other	Other	2120	0.47	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.26	9.91	-7.6	0	1	0	17	222.287	3	↓ MOL2 SDF SMILES Flexibase

4792605

Analogs

4802313
6338147
15554583
4582850

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-5-O	Entamoeba Histolytica (cluster #5 Of 5), Other	Other	2010	0.44	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.09	1.99	-7.28	0	1	0	17	277.15	3	↓ MOL2 SDF SMILES Flexibase

37501283

Analogs

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Chembo Pharma
- KB-90716

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-4-O	Entamoeba Histolytica (cluster #4 Of 5), Other	Other	3250	0.35	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.92	9.58	-11.64	3	4	0	52	308.41	5	↓ MOL2 SDF SMILES Flexibase

40867227

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-3-O	Entamoeba Histolytica (cluster #3 Of 5), Other	Other	7640	0.40	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.12	6.79	-14.26	3	4	0	54	260.366	4	↓ MOL2 SDF SMILES Flexibase

4242086

Analogs

17286721

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-5-O	Entamoeba Histolytica (cluster #5 Of 5), Other	Other	1390	0.48	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.62	1.51	-6.55	0	1	0	17	287.156	3	↓ MOL2 SDF SMILES Flexibase

5278610

Analogs

5378728
33765498
4726186

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-5-O	Entamoeba Histolytica (cluster #5 Of 5), Other	Other	2600	0.46	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.26	2.13	-9.68	0	1	0	17	242.705	3	↓ MOL2 SDF SMILES Flexibase

5276974

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-5-O	Entamoeba Histolytica (cluster #5 Of 5), Other	Other	1800	0.40	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.64	2.28	-5.85	0	1	0	17	329.237	3	↓ MOL2 SDF SMILES Flexibase

4897323

Analogs

5378722
6340721
33675900
38637293

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-5-O	Entamoeba Histolytica (cluster #5 Of 5), Other	Other	2490	0.44	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.07	1.83	-6.51	0	1	0	17	301.183	3	↓ MOL2 SDF SMILES Flexibase

4775394

Analogs

6321444
6338135
6338141
6471261
34869378

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-5-O	Entamoeba Histolytica (cluster #5 Of 5), Other	Other	2230	0.44	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.07	1.37	-8.61	0	1	0	17	321.601	3	↓ MOL2 SDF SMILES Flexibase

5446565

Analogs

5749771
6471261
33703591

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-5-O	Entamoeba Histolytica (cluster #5 Of 5), Other	Other	1110	0.44	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.70	1.23	-10.13	0	1	0	17	356.046	3	↓ MOL2 SDF SMILES Flexibase

15830288

Analogs

15830290
34465363
34465365
6581919
6582182

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AOFA-2-E	Monoamine Oxidase A (cluster #2 Of 8), Eukaryotic	Eukaryotes	333	0.43	Binding ≤ 10μM
AOFB-2-E	Monoamine Oxidase B (cluster #2 Of 8), Eukaryotic	Eukaryotes	1800	0.38	Binding ≤ 10μM
Z50422-1-O	Entamoeba Histolytica (cluster #1 Of 5), Other	Other	1580	0.39	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.83	9.92	-11.17	2	3	0	42	295.411	3	↓ MOL2 SDF SMILES Flexibase

15830290

Analogs

34465363
34465365
6581919
6582182
15830288

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AOFA-2-E	Monoamine Oxidase A (cluster #2 Of 8), Eukaryotic	Eukaryotes	333	0.43	Binding ≤ 10μM
AOFB-2-E	Monoamine Oxidase B (cluster #2 Of 8), Eukaryotic	Eukaryotes	1800	0.38	Binding ≤ 10μM
Z50422-1-O	Entamoeba Histolytica (cluster #1 Of 5), Other	Other	1580	0.39	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.83	9.9	-11.17	2	3	0	42	295.411	3	↓ MOL2 SDF SMILES Flexibase

3896921

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-5-O	Entamoeba Histolytica (cluster #5 Of 5), Other	Other	1800	0.42	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.78	9.36	-13	1	2	0	33	247.297	3	↓ MOL2 SDF SMILES Flexibase

3830747

Analogs

3977736
4213094
11679768
31357301
44830701

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Popular Name: EMETINE EMETINE

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-1-O	Entamoeba Histolytica (cluster #1 Of 5), Other	Other	2230	0.23	Functional ≤ 10μM
Z50425-3-O	Plasmodium Falciparum (cluster #3 Of 22), Other	Other	960	0.24	Functional ≤ 10μM
Z80088-1-O	CHO (Ovarian Cells) (cluster #1 Of 4), Other	Other	139	0.27	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.64	12.15	-129.24	3	6	2	58	482.665	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.64	8.75	-11.58	1	6	0	52	480.649	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.64	10.9	-51.82	2	6	1	53	481.657	7	↓ MOL2 SDF SMILES Flexibase

4947454

Analogs

4975020
5362645
6339378
32105401
4795668

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-5-O	Entamoeba Histolytica (cluster #5 Of 5), Other	Other	1410	0.43	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.83	3.04	-7	0	1	0	17	250.341	3	↓ MOL2 SDF SMILES Flexibase

34327

Analogs

34328
34465363
34465365

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-1-O	Entamoeba Histolytica (cluster #1 Of 5), Other	Other	1610	0.41	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.38	-1.4	-11.16	2	3	0	41	281.384	3	↓ MOL2 SDF SMILES Flexibase

34328

Analogs

34465363
34465365
34327

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-1-O	Entamoeba Histolytica (cluster #1 Of 5), Other	Other	1610	0.41	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.38	-1.41	-11.17	2	3	0	41	281.384	3	↓ MOL2 SDF SMILES Flexibase

37501375

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-4-O	Entamoeba Histolytica (cluster #4 Of 5), Other	Other	1290	0.37	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.89	9.57	-11.77	3	4	0	52	308.41	5	↓ MOL2 SDF SMILES Flexibase

4725699

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-3-O	Entamoeba Histolytica (cluster #3 Of 5), Other	Other	22	0.77	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	1282	0.59	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.08	4.81	-5.82	1	2	0	29	220.581	1	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	3.08	4.8	-4.59	1	2	0	29	220.581	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.08	4.38	-30.99	0	2	-1	27	219.573	1	↓ MOL2 SDF SMILES Flexibase

88446

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-2-O	Entamoeba Histolytica (cluster #2 Of 5), Other	Other	3960	0.38	Functional ≤ 10μM
Z50467-3-O	Trichomonas Vaginalis (cluster #3 Of 3), Other	Other	7980	0.36	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.67	0.11	-21.36	1	7	0	92	274.28	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.67	0.27	-42.52	2	7	1	93	275.288	5	↓ MOL2 SDF SMILES Flexibase

73738

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-3-O	Entamoeba Histolytica (cluster #3 Of 5), Other	Other	69	0.77	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	107	0.75	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.43	4.29	-6.54	1	2	0	29	186.136	1	↓ MOL2 SDF SMILES Flexibase

29553800

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-3-O	Entamoeba Histolytica (cluster #3 Of 5), Other	Other	11	0.74	Functional ≤ 10μM
Z50467-2-O	Trichomonas Vaginalis (cluster #2 Of 3), Other	Other	235	0.62	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	78	0.66	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.69	5.24	-6.23	1	2	0	29	255.026	1	↓ MOL2 SDF SMILES Flexibase

78887

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-3-O	Entamoeba Histolytica (cluster #3 Of 5), Other	Other	356	0.69	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	227	0.72	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.61	-1.66	-4.94	1	2	0	28	233.123	1	↓ MOL2 SDF SMILES Flexibase

3881191

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-3-O	Entamoeba Histolytica (cluster #3 Of 5), Other	Other	5	1.06	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	81	0.90	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	4.67	-10.85	2	2	0	32	184.651	0	↓ MOL2 SDF SMILES Flexibase

5425423

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-3-O	Entamoeba Histolytica (cluster #3 Of 5), Other	Other	39	1.04	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	282	0.92	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.08	4.66	-8.26	1	2	0	29	152.584	0	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.08	5.14	-36.66	2	2	1	30	153.592	0	↓ MOL2 SDF SMILES Flexibase

12341568

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-3-O	Entamoeba Histolytica (cluster #3 Of 5), Other	Other	133	0.96	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	40	1.04	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.42	4.15	-12.2	2	2	0	32	150.206	0	↓ MOL2 SDF SMILES Flexibase

43475

Analogs

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Popular Name: Carbendazim Carbendazim

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z101892-1-O	Magnaporthe Oryzae (cluster #1 Of 1), Other	Other	5000	0.53	Functional ≤ 10μM
Z103181-1-O	Microdochium Nivale (cluster #1 Of 1), Other	Other	2600	0.56	Functional ≤ 10μM
Z50422-3-O	Entamoeba Histolytica (cluster #3 Of 5), Other	Other	204	0.67	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	57	0.72	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.63	2.81	-9.9	2	5	0	70	191.19	1	↓ MOL2 SDF SMILES Flexibase

1725908

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-3-O	Entamoeba Histolytica (cluster #3 Of 5), Other	Other	55	0.85	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	78	0.83	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.68	-3.21	-9.77	2	2	0	32	219.096	0	↓ MOL2 SDF SMILES Flexibase

13284903

Analogs

26286725

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Popular Name: methyl methyl

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-3-O	Entamoeba Histolytica (cluster #3 Of 5), Other	Other	46	0.64	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	127	0.60	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.72	5.1	-5.23	2	5	0	67	260.08	2	↓ MOL2 SDF SMILES Flexibase

128936

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-3-O	Entamoeba Histolytica (cluster #3 Of 5), Other	Other	25	0.89	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	65	0.84	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.78	-1.08	-7.16	1	2	0	29	201.056	0	↓ MOL2 SDF SMILES Flexibase

26286725

Analogs

13284903

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-3-O	Entamoeba Histolytica (cluster #3 Of 5), Other	Other	350	0.60	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	66	0.67	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.29	3.3	-9.14	2	5	0	70	225.635	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.29	3.31	-8.18	2	5	0	70	225.635	1	↓ MOL2 SDF SMILES Flexibase

5973900

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-3-O	Entamoeba Histolytica (cluster #3 Of 5), Other	Other	59	0.84	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	218	0.78	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.49	4.65	-7.42	3	3	0	55	202.044	0	↓ MOL2 SDF SMILES Flexibase

9205005

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-3-O	Entamoeba Histolytica (cluster #3 Of 5), Other	Other	192	0.78	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	5	0.97	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.00	4.9	-6.15	1	2	0	29	198.678	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.00	5.26	-26.82	2	2	1	30	199.686	1	↓ MOL2 SDF SMILES Flexibase

394633

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-3-O	Entamoeba Histolytica (cluster #3 Of 5), Other	Other	84	0.90	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	156	0.87	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.17	4.51	-7.88	1	2	0	29	166.611	0	↓ MOL2 SDF SMILES Flexibase

81371

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-3-O	Entamoeba Histolytica (cluster #3 Of 5), Other	Other	393	0.82	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	45	0.94	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.35	-1.38	-6.89	1	2	0	29	164.233	1	↓ MOL2 SDF SMILES Flexibase

38139289

Analogs

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Popular Name: Chalcone Chalcone

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AOFB-1-E	Monoamine Oxidase B (cluster #1 Of 8), Eukaryotic	Eukaryotes	1410	0.51	Binding ≤ 10μM
Z50422-5-O	Entamoeba Histolytica (cluster #5 Of 5), Other	Other	1700	0.50	Functional ≤ 10μM
Z50587-3-O	Homo Sapiens (cluster #3 Of 9), Other	Other	6280	0.46	Functional ≤ 10μM
Z80186-2-O	K562 (Erythroleukemia Cells) (cluster #2 Of 11), Other	Other	3800	0.47	Functional ≤ 10μM
Z80362-1-O	P388 (Lymphoma Cells) (cluster #1 Of 8), Other	Other	9630	0.44	Functional ≤ 10μM
Z81051-2-O	Human Tumor Cell Lines (cluster #2 Of 2), Other	Other	8320	0.44	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.81	9.23	-7.67	0	1	0	17	208.26	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = Z50422
anotation.type = F10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'Z50422' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

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Embed Link to Results

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        "annotation.name": "Z50422"        

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