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)	3.55	4.16	-17	3	8	0	130	374.345	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.55	5.73	-110.55	1	8	-2	136	372.329	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.55	4.95	-46.6	2	8	-1	133	373.337	6	↓ MOL2 SDF SMILES Flexibase

4716567

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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)	4.22	0.41	-10.11	0	5	0	40	349.386	2	↓ MOL2 SDF SMILES Flexibase

900904

Analogs

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Ambinter
- Amb22172725

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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)	4.22	2.11	-11.85	0	6	0	57	405.45	4	↓ MOL2 SDF SMILES Flexibase

1411

Analogs

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Popular Name: Eugenol Eugenol

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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)	2.10	3.62	-5.44	1	2	0	29	164.204	3	↓ MOL2 SDF SMILES Flexibase

12358789

Analogs

1529208

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And 9 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)	3.65	3.04	-5.54	0	1	0	17	152.237	4	↓ MOL2 SDF SMILES Flexibase

1529208

Analogs

12358789

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Popular Name: CITRAL CITRAL

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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)	3.65	6.72	-6.07	0	1	0	17	152.237	4	↓ MOL2 SDF SMILES Flexibase

1530331

Analogs

1531533

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Popular Name: Myrcene Myrcene

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And 12 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)	3.99	7.33	-0.89	0	0	0	0	136.238	4	↓ MOL2 SDF SMILES Flexibase

4245684

Analogs

4349745
4349747
4349749
13424746
13424747

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Popular Name: Vitexin Vitexin

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And 4 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)	0.52	-7.1	-17.74	7	10	0	181	432.381	3	↓ MOL2 SDF SMILES Flexibase

4095704

Analogs

4349421
4349424
4349428
13136667
13136668

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Popular Name: Isovitexin Isovitexin

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And 1 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)	0.52	-7.08	-17.89	7	10	0	181	432.381	3	↓ MOL2 SDF SMILES Flexibase

5854400

Analogs

5849312

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And 4 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)	6.07	6.45	-16.73	4	6	0	111	396.439	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.07	7.2	-72.36	3	6	-1	114	395.431	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.07	6.8	-48.13	3	6	-1	114	395.431	4	↓ MOL2 SDF SMILES Flexibase

6018563

Analogs

39289884

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Popular Name: CALYCOSIN CALYCOSIN

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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)	2.38	2.64	-12.54	2	5	0	80	284.267	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.64	2.74	-43.59	1	5	-1	83	283.259	2	↓ MOL2 SDF SMILES Flexibase

14780903

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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)	5.69	6.13	-8.97	3	5	0	87	408.494	5	↓ MOL2 SDF SMILES Flexibase

18825330

Analogs

2149675

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Popular Name: Genistein Genistein

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And 50 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)	2.27	1.08	-13.3	3	5	0	91	270.24	1	↓ MOL2 SDF SMILES Flexibase

14417338

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AK Scientific
- W1705

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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)	3.95	5.79	-13.65	2	5	0	80	336.343	1	↓ MOL2 SDF SMILES Flexibase

53296154

Analogs

39289597

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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)	1.82	5.3	-9.92	0	3	0	36	178.187	1	↓ MOL2 SDF SMILES Flexibase

119983

Analogs

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Popular Name: Catechin Catechin

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And 58 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)	1.37	-4.94	-11.51	5	6	0	110	290.271	1	↓ MOL2 SDF SMILES Flexibase

1721693

Analogs

1721694
4096168
4096169
968078

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Popular Name: Afzelechin Afzelechin

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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)	1.86	-2.86	-9.63	4	5	0	90	274.272	1	↓ MOL2 SDF SMILES Flexibase

4096339

Analogs

4096340
4095719

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Popular Name: vomifoliol vomifoliol

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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)	1.52	1.61	-7.75	2	3	0	58	224.3	2	↓ MOL2 SDF SMILES Flexibase

28462577

Analogs

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Popular Name: DNC006449 DNC006449

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Vendors

Chembo Pharma
- KB-282683

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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)	5.18	4.08	-39.7	5	10	0	171	538.464	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.18	5.09	-85.16	4	10	-1	174	537.456	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.18	5.09	-83.72	4	10	-1	174	537.456	4	↓ MOL2 SDF SMILES Flexibase

18185774

Analogs

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Popular Name: Luteolin Luteolin

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And 49 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)	1.97	-0.94	-14.61	4	6	0	111	286.239	1	↓ MOL2 SDF SMILES Flexibase

13374323

Analogs

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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)	3.89	12.2	-15.48	2	6	0	85	444.531	11	↓ MOL2 SDF SMILES Flexibase

58187

Analogs

34583707
39283830

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Popular Name: PLUMBAGIN PLUMBAGIN

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And 18 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)	1.78	4.24	-7.85	1	3	0	54	188.182	0	↓ MOL2 SDF SMILES Flexibase

6524916

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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)	2.80	2.83	-10.23	2	4	0	71	228.203	0	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.80	3.56	-58.09	1	4	-1	73	227.195	0	↓ MOL2 SDF SMILES Flexibase

120283

Analogs

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Popular Name: Psoralen Psoralen

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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)	2.29	6.3	-12.66	0	3	0	43	186.166	0	↓ MOL2 SDF SMILES Flexibase

57731

Analogs

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Popular Name: Bergapten Bergapten

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And 33 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)	2.28	5.76	-10.08	0	4	0	53	216.192	1	↓ MOL2 SDF SMILES Flexibase

6256

Analogs

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Popular Name: Liriodenine Liriodenine

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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)	3.30	-0.17	-14.48	0	4	0	48	275.263	0	↓ MOL2 SDF SMILES Flexibase

5063215

Analogs

39289597

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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)	1.29	0.07	-9.75	1	3	0	46	164.16	0	↓ MOL2 SDF SMILES Flexibase

87493012

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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)	5.18	3.72	-9.73	3	4	0	74	310.349	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.18	4.48	-48.99	2	4	-1	77	309.341	3	↓ MOL2 SDF SMILES Flexibase

6018566

Analogs

39382015
1529491

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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)	2.13	2.31	-11.21	0	3	0	35	192.214	4	↓ MOL2 SDF SMILES Flexibase

5357841

Analogs

5357845

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Florida Heterocyclic Compounds
- 19699
Ambinter
- Amb10564574

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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)	3.02	2.44	-12.93	0	6	0	67	338.315	2	↓ MOL2 SDF SMILES Flexibase

35525

Analogs

5998737

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Popular Name: Skimmianine Skimmianine

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And 12 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)	2.69	2.82	-14.24	0	5	0	54	259.261	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.69	3.88	-24.01	1	5	1	55	260.269	3	↓ MOL2 SDF SMILES Flexibase

4098841

Analogs

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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)	2.68	7.92	-12.72	0	6	0	59	329.352	4	↓ MOL2 SDF SMILES Flexibase

2389301

Analogs

3641069
34540154

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And 60 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)	1.93	4.26	-8.56	1	2	0	33	145.161	1	↓ MOL2 SDF SMILES Flexibase

900182

Analogs

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Popular Name: Flindersiamine Flindersiamine

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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)	2.72	-0.85	-12.09	0	6	0	62	273.244	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.72	-0.14	-25.23	1	6	1	64	274.252	2	↓ MOL2 SDF SMILES Flexibase

152926

Analogs

4227090

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Popular Name: Syringaldehyde Syringaldehyde

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And 43 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)	1.08	1.27	-10.7	1	4	0	56	182.175	3	↓ MOL2 SDF SMILES Flexibase

71791185

Analogs

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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)	2.23	3.85	-8.82	2	3	0	49	225.332	8	↓ MOL2 SDF SMILES Flexibase

14826764

Analogs

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None

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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)	3.89	5.95	-9.19	1	7	0	83	410.422	3	↓ MOL2 SDF SMILES Flexibase

43617259

Analogs

43617261
43617263
43617265

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Vendors

Chembo Pharma
- KB-46838

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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)	6.27	11.06	-6.84	1	3	0	47	306.446	11	↓ MOL2 SDF SMILES Flexibase

3978987

Analogs

3978989
3978990
4098739
6394171
6394174

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Popular Name: deguelin deguelin

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And 2 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)	3.58	8.7	-12.27	0	6	0	63	394.423	2	↓ MOL2 SDF SMILES Flexibase

4098748

Analogs

6394169
6394172
14721540
1531876

Draw Identity 99% 90% 80% 70%

Popular Name: tephrosin tephrosin

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Vendors

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)	3.01	-0.78	-10.73	1	7	0	83	410.422	2	↓ MOL2 SDF SMILES Flexibase

1597393

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: PACHYRRHIZIN PACHYRRHIZIN

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Vendors

Florida Heterocyclic Compounds
- 19698

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)	3.89	7.83	-14.57	0	6	0	71	336.299	2	↓ MOL2 SDF SMILES Flexibase

6119190

Analogs

6119191
6119189
1583485

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Popular Name: Edulin Edulin

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Vendors

American Custom Chemicals Corp.
- CHM0290593

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)	3.37	0.29	-9.27	0	5	0	50	308.289	0	↓ MOL2 SDF SMILES Flexibase

3861087

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phytol phytol

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Vendors

And 21 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)	6.76	11.34	-2.7	1	1	0	20	296.539	13	↓ MOL2 SDF SMILES Flexibase

5758645

Analogs

33950823
33950824
33950825
2384589

Draw Identity 99% 90% 80% 70%

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Vendors

And 1 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)	7.47	15.67	-4.68	0	2	0	26	338.576	15	↓ MOL2 SDF SMILES Flexibase

1532860

Analogs

5225107
13507232
13507234
33841554
1531391

Draw Identity 99% 90% 80% 70%

Popular Name: Farnesol Farnesol

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Vendors

And 37 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)	5.05	7.82	-3.27	1	1	0	20	222.372	7	↓ MOL2 SDF SMILES Flexibase

4098293

Analogs

5762254
15147910
15147913

Draw Identity 99% 90% 80% 70%

Popular Name: POLYGODIAL POLYGODIAL

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Vendors

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)	3.96	7.94	-12.54	0	2	0	34	234.339	2	↓ MOL2 SDF SMILES Flexibase

4098287

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

None

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)	2.10	2.43	-15.01	2	4	0	75	266.337	2	↓ MOL2 SDF SMILES Flexibase

4098248

Analogs

5373310
39559771
39559772

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Sequoia Research Products
- UNNAMED00000020

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)	2.81	2.76	-11.58	1	5	0	80	308.374	4	↓ MOL2 SDF SMILES Flexibase

3871576

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Apigenin Apigenin

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Vendors

And 48 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)	2.46	1.12	-12.82	3	5	0	91	270.24	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.72	1.4	-45.92	2	5	-1	94	269.232	1	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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page.num = 1
catalog.name = afronp
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

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