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)	-2.65	9.48	-231.62	3	15	-3	252	669.641	14	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-2.65	10.98	-138.25	4	15	-2	253	670.649	14	↓ MOL2 SDF SMILES Flexibase

76945783

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- BIW4202

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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)	3.86	6.1	-20.06	2	6	0	96	470.606	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.86	6.66	-70.86	1	6	-1	99	469.598	3	↓ MOL2 SDF SMILES Flexibase

76945778

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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)	3.86	6.01	-20.42	2	6	0	96	470.606	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.86	6.56	-23.67	1	6	0	99	469.598	3	↓ MOL2 SDF SMILES Flexibase

76945775

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Apollo Scientific Bioactives
- BIW4202

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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)	3.86	5.95	-20.11	2	6	0	96	470.606	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.86	6.51	-71.49	1	6	-1	99	469.598	3	↓ MOL2 SDF SMILES Flexibase

76945773

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- BIW4202

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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)	3.86	6.05	-17.77	2	6	0	96	470.606	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.86	6.6	-68.42	1	6	-1	99	469.598	3	↓ MOL2 SDF SMILES Flexibase

76945770

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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)	7.19	14.46	-45.24	0	2	-1	40	279.444	13	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	7.19	12.48	-7.46	1	2	0	37	280.452	13	↓ MOL2 SDF SMILES Flexibase

76945767

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Popular Name: Thymopentin Thymopentin

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Apollo Scientific Bioactives
- BITH3057

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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	1.19	-212.39	16	18	1	338	680.784	22	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-4.89	0.77	-144.14	15	18	0	334	679.776	23	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-4.95	0.91	-144.3	15	18	0	337	679.776	22	↓ MOL2 SDF SMILES Flexibase

76945764

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Apollo Scientific Bioactives
- BITH3027

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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)	6.12	10.05	-4.28	1	3	0	39	416.646	0	↓ MOL2 SDF SMILES Flexibase

76945759

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Apollo Scientific Bioactives
- BITH3027

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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)	6.12	10.38	-3.68	1	3	0	39	416.646	0	↓ MOL2 SDF SMILES Flexibase

76945755

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Apollo Scientific Bioactives
- BIT4520

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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)	4.99	15.38	-15.92	2	12	0	172	650.762	17	↓ MOL2 SDF SMILES Flexibase

76945751

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Apollo Scientific Bioactives
- BIT4520

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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)	4.99	15.17	-22.19	2	12	0	172	650.762	17	↓ MOL2 SDF SMILES Flexibase

76945744

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Apollo Scientific Bioactives
- BIT4001

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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)	5.77	14.95	-10.47	1	6	0	66	540.656	13	↓ MOL2 SDF SMILES Flexibase

76945741

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Apollo Scientific Bioactives
- BIT3044

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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)	1.04	7.7	-44.77	1	12	-1	190	299.175	7	↓ MOL2 SDF SMILES Flexibase

29130731

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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	20.41	-64.94	0	10	2	88	656.75	9	↓ MOL2 SDF SMILES Flexibase

76945734

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Apollo Scientific Bioactives
- BIT1007

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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)	7.08	15.83	-13.43	0	9	0	114	579.525	13	↓ MOL2 SDF SMILES Flexibase

76945729

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Apollo Scientific Bioactives
- BIT0802

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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)	-5.70	-17.79	-420.49	20	14	5	276	472.56	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-5.70	-18.86	-113.02	17	14	2	271	469.536	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-5.70	-18.85	-104.02	17	14	2	271	469.536	6	↓ MOL2 SDF SMILES Flexibase

76945726

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- BIT0153

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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)	-5.70	-15.08	-456.49	20	14	5	276	472.56	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-5.70	-16.29	-104.88	17	14	2	271	469.536	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-5.70	-17.99	-95.18	17	14	2	271	469.536	6	↓ MOL2 SDF SMILES Flexibase

76945723

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Apollo Scientific Bioactives
- BIS0148

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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)	-5.28	-16.17	-166.68	19	19	3	339	584.604	11	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-5.28	-17.17	-91.46	18	19	2	335	583.596	11	↓ MOL2 SDF SMILES Flexibase

76945716

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Apollo Scientific Bioactives
- BIS0104

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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)	4.05	12.74	-45.12	0	8	-1	121	458.597	18	↓ MOL2 SDF SMILES Flexibase

76945709

Analogs

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Popular Name: Sulpho SAH Sulpho SAH

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Apollo Scientific Bioactives
- BIPA125

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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)	-0.09	1.31	-55.64	2	14	-1	220	468.424	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.09	2.34	-103.07	1	14	-2	223	467.416	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.09	2.34	-107.58	1	14	-2	223	467.416	11	↓ MOL2 SDF SMILES Flexibase

76945701

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Popular Name: Sulpho SAPB Sulpho SAPB

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Apollo Scientific Bioactives
- BIPA115

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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)	-0.33	3.48	-52.26	0	11	-1	171	381.346	8	↓ MOL2 SDF SMILES Flexibase

76945694

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Popular Name: Sulpho SAED Sulpho SAED

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Apollo Scientific Bioactives
- BIPA113

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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)	-0.54	9.25	-65.62	1	17	-1	256	670.68	17	↓ MOL2 SDF SMILES Flexibase

76945689

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Popular Name: Sulpho SADP Sulpho SADP

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Apollo Scientific Bioactives
- BIPA112

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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)	-0.10	5.51	-48.58	0	11	-1	171	431.453	9	↓ MOL2 SDF SMILES Flexibase

76945681

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Popular Name: Sulpho SAND Sulpho SAND

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Apollo Scientific Bioactives
- BIPA111

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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)	-0.93	5.94	-61.94	1	16	-1	246	547.529	13	↓ MOL2 SDF SMILES Flexibase

76945678

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Popular Name: ANB NOS ANB NOS

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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	5.79	-25.45	0	11	0	159	305.206	5	↓ MOL2 SDF SMILES Flexibase

76945669

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Popular Name: Sulpho SANPAH Sulpho SANPAH

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Apollo Scientific Bioactives
- BIPA109

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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)	0.00	3.75	-58.38	1	15	-1	228	469.412	12	↓ MOL2 SDF SMILES Flexibase

76945664

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Popular Name: Sulpho HSAB Sulpho HSAB

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Apollo Scientific Bioactives
- BIPA107

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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)	-0.99	1.11	-49.37	0	11	-1	171	339.265	5	↓ MOL2 SDF SMILES Flexibase

76945662

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Apollo Scientific Bioactives
- BIPA106

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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	5.1	-16.9	0	8	0	113	260.209	4	↓ MOL2 SDF SMILES Flexibase

76945656

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Apollo Scientific Bioactives
- BIP0695

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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)	3.61	5.23	-66.24	5	13	1	182	534.667	16	↓ MOL2 SDF SMILES Flexibase

76945645

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Popular Name: ONS ONS

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Apollo Scientific Bioactives
- BIO0530

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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)	8.38	14.92	-47.32	1	4	-1	69	474.731	19	↓ MOL2 SDF SMILES Flexibase

76945641

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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)	8.55	17.36	-7.88	0	5	0	72	377.525	17	↓ MOL2 SDF SMILES Flexibase

76945639

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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)	7.73	15.8	-7.93	0	5	0	72	349.471	15	↓ MOL2 SDF SMILES Flexibase

76945635

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Apollo Scientific Bioactives
- BIN0420

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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)	2.75	6.91	-40.08	0	5	-1	86	232.624	3	↓ MOL2 SDF SMILES Flexibase

76945632

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Popular Name: USP) USP)

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Apollo Scientific Bioactives
- BIN0394

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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)	3.93	3.91	-58.66	5	13	-1	203	611.624	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.93	3.54	-28.67	6	13	0	200	612.632	9	↓ MOL2 SDF SMILES Flexibase

76945626

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Apollo Scientific Bioactives
- BIN0112

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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)	5.87	12.56	-68.2	2	11	-1	145	723.965	9	↓ MOL2 SDF SMILES Flexibase

76945621

Analogs

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Apollo Scientific Bioactives
- BIN0112

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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)	5.87	12.04	-62.8	2	11	-1	145	723.965	9	↓ MOL2 SDF SMILES Flexibase

76945620

Analogs

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Apollo Scientific Bioactives
- BIN0112

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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)	5.87	12.91	-59.16	2	11	-1	145	723.965	9	↓ MOL2 SDF SMILES Flexibase

76945616

Analogs

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Vendors

Apollo Scientific Bioactives
- BIN0112

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)	5.87	13.17	-60.09	2	11	-1	145	723.965	9	↓ MOL2 SDF SMILES Flexibase

76945611

Analogs

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Apollo Scientific Bioactives
- BIMI7332

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)	0.21	4.44	-58.37	7	14	-1	226	642.815	20	↓ MOL2 SDF SMILES Flexibase

76945610

Analogs

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Vendors

Apollo Scientific Bioactives
- BIMI7332

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)	0.21	4.37	-58.34	7	14	-1	226	642.815	20	↓ MOL2 SDF SMILES Flexibase

76945606

Analogs

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Vendors

Apollo Scientific Bioactives
- BIMI7332

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)	0.21	3.78	-57.83	7	14	-1	226	642.815	20	↓ MOL2 SDF SMILES Flexibase

76945602

Analogs

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Vendors

Apollo Scientific Bioactives
- BIMI6643

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)	1.29	4.78	-54.12	7	14	-1	226	670.869	21	↓ MOL2 SDF SMILES Flexibase

76945597

Analogs

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Vendors

Apollo Scientific Bioactives
- BIMI6643

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)	1.29	5.41	-56.37	7	14	-1	226	670.869	21	↓ MOL2 SDF SMILES Flexibase

76945593

Analogs

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Vendors

Apollo Scientific Bioactives
- BIMI6643

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)	1.29	5.26	-54.52	7	14	-1	226	670.869	21	↓ MOL2 SDF SMILES Flexibase

76945591

Analogs

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Vendors

Apollo Scientific Bioactives
- BIMI6643

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)	1.29	5.43	-57.51	7	14	-1	226	670.869	21	↓ MOL2 SDF SMILES Flexibase

76945588

Analogs

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Apollo Scientific Bioactives
- BIMI2205

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)	1.82	7.32	-58.45	7	14	-1	226	684.896	22	↓ MOL2 SDF SMILES Flexibase

76945585

Analogs

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Vendors

Apollo Scientific Bioactives
- BIMI2205

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)	1.82	6.4	-56.25	7	14	-1	226	684.896	22	↓ MOL2 SDF SMILES Flexibase

76945583

Analogs

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Vendors

Apollo Scientific Bioactives
- BIMI2205

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)	1.82	6.34	-56.48	7	14	-1	226	684.896	22	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

page.format = basic
page.num = 1
catalog.name = apollobio
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 'apollobio' 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=apollobio&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": "apollobio"        

    });
</script>