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)	2.23	3.79	-29.97	4	7	1	101	338.372	4	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	2.41	3.82	-12.29	3	7	0	103	337.364	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.32	2.05	-48.15	2	7	-1	109	336.356	3	↓ MOL2 SDF SMILES Flexibase

18105990

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5093130

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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)	2.61	4.69	-31.97	4	7	1	101	350.333	4	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	2.79	4.75	-12.03	3	7	0	103	349.325	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.70	3.12	-45.52	2	7	-1	109	348.317	3	↓ MOL2 SDF SMILES Flexibase

17146977

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6448851
6622220
9065134

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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)	5.48	5.15	-20.75	3	7	0	107	460.291	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.48	5.97	-47.92	2	7	-1	109	459.283	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.48	5.01	-51.32	2	7	-1	109	459.283	3	↓ MOL2 SDF SMILES Flexibase

1252472

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4953945
5297080
1190016

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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)	4.68	9.24	-12.55	3	6	0	86	371.444	5	↓ MOL2 SDF SMILES Flexibase

45282

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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	-1.37	-15.59	2	6	0	75	345.406	5	↓ MOL2 SDF SMILES Flexibase

12468919

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39862360
39862462
39862463
39862467
39862565

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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)	4.64	7.66	-14.15	2	6	0	87	377.425	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.10	5.88	-53.44	1	6	-1	91	376.417	3	↓ MOL2 SDF SMILES Flexibase

9726076

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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)	4.37	8.2	-23.54	2	8	0	125	489.534	3	↓ MOL2 SDF SMILES Flexibase

16890508

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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)	4.41	8.89	-13.28	1	5	0	63	383.86	3	↓ MOL2 SDF SMILES Flexibase

9725117

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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)	7.06	11.47	-11.83	0	4	0	44	472.191	5	↓ MOL2 SDF SMILES Flexibase

6305446

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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)	4.37	8.9	-15.78	1	5	0	63	383.86	3	↓ MOL2 SDF SMILES Flexibase

9725510

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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)	4.86	8.23	-23.32	2	8	0	125	491.55	4	↓ MOL2 SDF SMILES Flexibase

6305397

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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)	4.39	8.89	-14.64	1	5	0	63	383.86	3	↓ MOL2 SDF SMILES Flexibase

12378644

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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)	4.38	7.74	-17.73	1	6	0	76	408.508	4	↓ MOL2 SDF SMILES Flexibase

16890509

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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)	3.90	8.44	-13.45	1	5	0	63	367.405	3	↓ MOL2 SDF SMILES Flexibase

9725683

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11726450

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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	8.05	-11.99	1	5	0	63	436.356	4	↓ MOL2 SDF SMILES Flexibase

9726219

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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)	4.52	9	-14.63	1	5	0	63	428.311	3	↓ MOL2 SDF SMILES Flexibase

6305364

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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)	4.92	7.95	-11.98	1	5	0	63	391.905	4	↓ MOL2 SDF SMILES Flexibase

9726225

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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)	4.50	9.01	-15.36	1	5	0	63	428.311	3	↓ MOL2 SDF SMILES Flexibase

1050747

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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)	4.97	12.99	-16.12	1	5	0	59	402.885	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.97	13.28	-26.8	2	5	1	60	403.893	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.97	12.17	-32.44	2	5	1	60	403.893	5	↓ MOL2 SDF SMILES Flexibase

18038262

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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)	3.91	7.08	-16.75	2	6	0	79	294.314	3	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	3.09	7.09	-13.72	1	6	0	76	294.314	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.69	7.85	-50.32	1	6	-1	82	293.306	2	↓ MOL2 SDF SMILES Flexibase

12403945

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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)	2.01	7.28	-12.55	1	4	0	51	251.289	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.01	7.07	-15.15	1	4	0	51	251.289	2	↓ MOL2 SDF SMILES Flexibase

1050755

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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)	6.38	13.67	-15.87	1	5	0	59	423.303	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.38	14.1	-30.83	2	5	1	60	424.311	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.38	13.37	-36.26	2	5	1	60	424.311	4	↓ MOL2 SDF SMILES Flexibase

1050751

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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)	4.95	12.98	-17.67	1	5	0	59	402.885	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.95	12.17	-32.31	2	5	1	60	403.893	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.95	13.27	-27.08	2	5	1	60	403.893	5	↓ MOL2 SDF SMILES Flexibase

2687021

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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)	5.12	-3.94	-24.22	0	7	0	87	435.457	4	↓ MOL2 SDF SMILES Flexibase

8573412

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4467756

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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)	4.67	6.36	-37.43	3	6	1	89	432.475	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.67	-1.77	-38.81	3	6	1	88	432.475	4	↓ MOL2 SDF SMILES Flexibase

9524454

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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)	5.67	8.78	-29.97	3	6	1	89	464.545	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.67	-2.14	-38.46	3	6	1	88	464.545	4	↓ MOL2 SDF SMILES Flexibase

5125635

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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)	2.67	7.36	-43.54	2	7	1	106	362.365	3	↓ MOL2 SDF SMILES Flexibase

12437690

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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)	3.85	8.38	-40.05	2	5	1	73	404.215	2	↓ MOL2 SDF SMILES Flexibase

2700526

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36630212
39891841
39891843
39891844
39891845

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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)	3.16	4.15	-19.61	1	7	0	97	435.383	5	↓ MOL2 SDF SMILES Flexibase

2689998

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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)	3.63	4.69	-29.24	3	5	1	79	309.345	3	↓ MOL2 SDF SMILES Flexibase

2700534

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36630201
39891837
39891843
39891844
39891845

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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)	3.10	3.77	-17.97	1	7	0	97	446.282	4	↓ MOL2 SDF SMILES Flexibase

12437686

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178957

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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)	3.10	4.52	-36.63	3	6	1	97	337.355	4	↓ MOL2 SDF SMILES Flexibase

12437688

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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	8.71	-40.31	2	5	1	73	375.326	3	↓ MOL2 SDF SMILES Flexibase

1515843

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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)	5.03	10.13	-36.59	2	6	1	89	396.426	4	↓ MOL2 SDF SMILES Flexibase

17824894

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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)	4.16	10.63	-17.96	1	6	0	68	364.449	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.16	10.9	-25.68	2	6	1	70	365.457	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.16	9.79	-31.65	2	6	1	70	365.457	6	↓ MOL2 SDF SMILES Flexibase

18101037

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Innovapharm
- STT-00282628
TimTec Make-on-Demand
- ST50769617

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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)	4.16	10.63	-17.89	1	6	0	68	364.449	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.16	10.9	-25.7	2	6	1	70	365.457	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.16	9.79	-31.71	2	6	1	70	365.457	6	↓ MOL2 SDF SMILES Flexibase

13892843

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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)	3.07	7.77	-39.16	2	5	1	73	325.319	2	↓ MOL2 SDF SMILES Flexibase

16890519

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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)	2.99	6.32	-16.68	1	6	0	77	339.376	3	↓ MOL2 SDF SMILES Flexibase

2714337

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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)	5.19	10.84	-17.83	0	5	0	65	364.426	1	↓ MOL2 SDF SMILES Flexibase

16890520

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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)	3.90	7.71	-19.22	1	6	0	76	406.492	3	↓ MOL2 SDF SMILES Flexibase

2714347

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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)	5.42	10.57	-17.86	0	5	0	65	384.844	1	↓ MOL2 SDF SMILES Flexibase

6305361

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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)	4.44	7.92	-13.06	1	5	0	63	389.889	3	↓ MOL2 SDF SMILES Flexibase

9489635

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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)	5.56	10.59	-20.65	0	7	0	83	446.484	3	↓ MOL2 SDF SMILES Flexibase

9726250

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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)	4.77	9.45	-14.44	1	5	0	63	475.311	3	↓ MOL2 SDF SMILES Flexibase

2714653

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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)	2.54	6.77	-18.72	0	6	0	72	331.397	2	↓ MOL2 SDF SMILES Flexibase

17026738

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17026740

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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	8.12	-13.81	0	6	0	62	370.43	2	↓ MOL2 SDF SMILES Flexibase

17026740

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17026738

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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	8.12	-13.83	0	6	0	62	370.43	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

page.format = basic
page.num = 1
catalog.name = smdclifekin
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  WHERE c.free = 1 AND c.short_name LIKE 'smdclifekin' AND ci.sub_id_fk IN (SELECT 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  WHERE c.free = 1 AND c.purchasable IN (1,2,4,5)   )    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?catalog.name=smdclifekin&filter.purchasability=purchasable

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "catalog.name": "smdclifekin"        

    });
</script>