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	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.54	7.15	-15.62	2	5	0	79	324.311	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.84	6.95	-48.23	1	5	-1	82	323.303	3	↓ MOL2 SDF SMILES Flexibase

22233923

Analogs

31544758

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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)	2.42	8.58	-36.66	2	4	0	62	332.281	3	↓ MOL2 SDF SMILES Flexibase

6493932

Analogs

5687203

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And 11 More

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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)	1.30	4	-56.76	2	6	-1	109	304.285	2	↓ MOL2 SDF SMILES Flexibase

41056742

Analogs

39962959
39962992

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Innovapharm Make-on-Demand
- VT-00643600
PubChem
- 52094317

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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)	3.28	10.17	-15.32	1	4	0	51	340.81	3	↓ MOL2 SDF SMILES Flexibase

32605885

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- VT-00611633
PubChem
- 39849539

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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)	2.21	6.64	-39.24	2	5	0	71	328.755	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.51	6.25	-52.32	1	5	-1	74	327.747	3	↓ MOL2 SDF SMILES Flexibase

39962859

Analogs

39962860
39962904
39962908
39962912
39962914

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- VT-00625871
PubChem
- 43832064

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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)	1.96	6.73	-13.21	2	5	0	71	308.337	3	↓ MOL2 SDF SMILES Flexibase

12414631

Analogs

8994138

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And 3 More

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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)	2.42	6.78	-53.45	2	5	-1	85	307.329	2	↓ MOL2 SDF SMILES Flexibase

40359706

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Innovapharm Make-on-Demand
- VT-00615045
PubChem
- 43860441

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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)	2.66	6.79	-12.6	2	5	0	71	356.809	3	↓ MOL2 SDF SMILES Flexibase

41055820

Analogs

40177004

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Innovapharm Make-on-Demand
- VT-00643082
PubChem
- 52093852

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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)	2.04	6.84	-15.55	2	6	0	80	392.333	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.34	6.55	-46.37	1	6	-1	84	391.325	5	↓ MOL2 SDF SMILES Flexibase

32605872

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Innovapharm Make-on-Demand
- VT-00611644
PubChem
- 39849524

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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)	2.56	8.12	-37.09	2	4	0	62	312.756	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.86	7.73	-51.63	1	4	-1	65	311.748	2	↓ MOL2 SDF SMILES Flexibase

18285022

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Popular Name: methyl methyl

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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)	1.77	4.21	-54.67	2	7	-1	111	337.311	4	↓ MOL2 SDF SMILES Flexibase

39962870

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Innovapharm Make-on-Demand
- VT-00625883
PubChem
- 43832127

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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)	2.57	7.31	-11.7	2	5	0	71	342.782	3	↓ MOL2 SDF SMILES Flexibase

40176876

Analogs

41055639
41055763
41055983
41056104
41056908

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Popular Name: dimethyl dimethyl

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- VT-00521842
PubChem
- 43853616

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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)	1.98	8.34	-23.06	2	8	0	115	380.356	6	↓ MOL2 SDF SMILES Flexibase

12414900

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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	6.9	-52.31	2	5	-1	85	307.329	3	↓ MOL2 SDF SMILES Flexibase

39409114

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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	7.04	-16	2	5	0	65	307.353	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.63	7.81	-62.69	3	5	0	66	308.361	3	↓ MOL2 SDF SMILES Flexibase

41056346

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Innovapharm Make-on-Demand
- VT-00643402
PubChem
- 52094117

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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)	2.63	9.37	-13.57	1	5	0	60	336.391	4	↓ MOL2 SDF SMILES Flexibase

32604997

Analogs

31544683

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Innovapharm Make-on-Demand
- VT-00596425
PubChem
- 17016520

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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)	2.98	8.74	-49.43	2	4	0	62	326.783	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.28	8.33	-52.56	1	4	-1	65	325.775	2	↓ MOL2 SDF SMILES Flexibase

41056025

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Innovapharm Make-on-Demand
- VT-00643192
PubChem
- 52093956

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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)	3.21	8.4	-11.76	2	4	0	62	347.201	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.51	8.13	-43.53	1	4	-1	65	346.193	2	↓ MOL2 SDF SMILES Flexibase

41055985

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Innovapharm Make-on-Demand
- VT-00643168
PubChem
- 52093936

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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)	2.58	8.03	-12.91	2	4	0	62	312.756	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.88	7.76	-47.8	1	4	-1	65	311.748	2	↓ MOL2 SDF SMILES Flexibase

12414628

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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)	2.42	6.69	-53.34	2	5	-1	85	307.329	2	↓ MOL2 SDF SMILES Flexibase

41056656

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Innovapharm Make-on-Demand
- VT-00643557
PubChem
- 52094274

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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)	1.83	5.87	-20.83	1	7	0	79	368.389	5	↓ MOL2 SDF SMILES Flexibase

41056259

Analogs

39963057

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Innovapharm Make-on-Demand
- VT-00643359
PubChem
- 52094074

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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)	0.97	6.66	-19.24	1	6	0	70	356.353	4	↓ MOL2 SDF SMILES Flexibase

41056143

Analogs

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Popular Name: methyl methyl

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Innovapharm Make-on-Demand
- VT-00643254
PubChem
- 52094016

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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)	1.84	7.03	-18.79	2	7	0	97	352.346	5	↓ MOL2 SDF SMILES Flexibase

39962875

Analogs

39962880
39962901
39962867

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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)	0.75	4.96	-20.05	3	7	0	100	351.362	4	↓ MOL2 SDF SMILES Flexibase

39962739

Analogs

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Popular Name: ethyl ethyl

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Innovapharm Make-on-Demand
- VT-00625745
PubChem
- 43831841

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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)	2.11	7.52	-18.57	2	7	0	97	366.373	6	↓ MOL2 SDF SMILES Flexibase

39962831

Analogs

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Popular Name: ethyl ethyl

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Innovapharm Make-on-Demand
- VT-00625841
PubChem
- 43831903

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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	7.64	-14.11	2	7	0	97	366.373	6	↓ MOL2 SDF SMILES Flexibase

12918663

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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)	2.85	7.43	-11.6	2	4	0	62	292.338	3	↓ MOL2 SDF SMILES Flexibase

151912

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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)	3.34	0.33	-32.17	2	4	0	61	348.789	2	↓ MOL2 SDF SMILES Flexibase

41056120

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Innovapharm Make-on-Demand
- VT-00643242
PubChem
- 52094005

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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	7.51	-16.97	2	8	0	117	353.334	4	↓ MOL2 SDF SMILES Flexibase

9042649

Analogs

5687203

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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)	1.60	3.53	-56.6	2	5	-1	85	279.275	2	↓ MOL2 SDF SMILES Flexibase

70332314

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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)	3.13	5.39	-16.84	2	4	0	62	278.311	2	↓ MOL2 SDF SMILES Flexibase

35508411

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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)	2.63	6.77	-48.3	2	5	-1	85	327.747	2	↓ MOL2 SDF SMILES Flexibase

39962766

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Innovapharm Make-on-Demand
- VT-00625773
PubChem
- 43831992

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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)	1.60	4.63	-22.14	2	7	0	90	354.362	5	↓ MOL2 SDF SMILES Flexibase

40359345

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Innovapharm Make-on-Demand
- VT-00614867
PubChem
- 43860263

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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)	2.96	8.71	-12.44	2	4	0	62	326.783	2	↓ MOL2 SDF SMILES Flexibase

40176971

Analogs

41055781
41055870
41055876
32606403

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Innovapharm Make-on-Demand
- VT-00521974
PubChem
- 43853711

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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)	2.82	8.49	-10.89	2	4	0	62	346.308	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.12	8.22	-48.93	1	4	-1	65	345.3	3	↓ MOL2 SDF SMILES Flexibase

40177011

Analogs

41055781
41055870
41055876
32606403

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Innovapharm Make-on-Demand
- VT-00522029
PubChem
- 43853750

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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)	3.27	8.79	-9.7	2	4	0	62	400.278	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.57	8.55	-44.95	1	4	-1	65	399.27	4	↓ MOL2 SDF SMILES Flexibase

32604984

Analogs

40176877

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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)	1.93	7.65	-51.55	2	5	0	86	323.739	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.23	7.24	-49.93	1	5	-1	89	322.731	2	↓ MOL2 SDF SMILES Flexibase

32604955

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Vendors

Innovapharm Make-on-Demand
- VT-00596417
PubChem
- 17016512

Activity (Go SEA)

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	8.58	-49.29	2	4	0	62	326.783	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.31	8.17	-52.92	1	4	-1	65	325.775	2	↓ MOL2 SDF SMILES Flexibase

22234097

Analogs

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Vendors

Enamine
- Z1038070560
PubChem
- 30131671

Activity (Go SEA)

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	8.41	-40.06	2	4	0	62	296.301	2	↓ MOL2 SDF SMILES Flexibase

22236233

Analogs

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Vendors

Innovapharm Make-on-Demand
- VT-00643311
PubChem
- 30133207

Activity (Go SEA)

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)	1.79	10.63	-32.95	1	4	0	51	324.355	3	↓ MOL2 SDF SMILES Flexibase

289916

Analogs

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Vendors

eMolecules
- 1203012
Molport
- MolPort-001-889-662
Asinex
- BAS00364038
IBScreen
- STOCK1S-62723
Life Chemicals
- F3222-1495

And 8 More

Activity (Go SEA)

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)	1.65	4.75	-51.78	2	6	-1	94	309.301	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.95	-4.66	-11.56	3	6	0	91	310.309	3	↓ MOL2 SDF SMILES Flexibase

32604972

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

Innovapharm Make-on-Demand
- VT-00596409
PubChem
- 17016504

Activity (Go SEA)

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)	2.18	7.25	-49.37	2	4	0	62	298.729	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.48	6.84	-52.28	1	4	-1	65	297.721	2	↓ MOL2 SDF SMILES Flexibase