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20121292

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[benzyl-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methyl-propyl]amino]methyl]-6-methoxy-1H-quin 3-[[benzyl-[(1R)-1-[1-(2-methoxy…

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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)	2.50	8.48	-35.92	2	9	1	99	477.589	11	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.50	7.03	-14.94	1	9	0	98	476.581	11	↓ MOL2 SDF SMILES Flexibase

20121293

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[benzyl-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methyl-propyl]amino]methyl]-6-methoxy-1H-quin 3-[[benzyl-[(1S)-1-[1-(2-methoxy…

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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)	2.50	8.46	-32.88	2	9	1	99	477.589	11	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.50	7	-10.8	1	9	0	98	476.581	11	↓ MOL2 SDF SMILES Flexibase

1373327

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1-tert-amyltetrazol-5-yl)methyl-(4-methylbenzyl)amino]methyl]-6-ethyl-carbostyril 3-[[(1-tert-amyltetrazol-5-yl)me…

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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)	4.20	10.94	-11.06	1	7	0	80	458.61	9	↓ MOL2 SDF SMILES Flexibase

1373343

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1-tert-butyltetrazol-5-yl)methyl-(4-methylbenzyl)amino]methyl]-7-methyl-carbostyril 3-[[(1-tert-butyltetrazol-5-yl)m…

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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)	3.23	9.08	-14.62	1	7	0	80	430.556	7	↓ MOL2 SDF SMILES Flexibase

1373345

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1-tert-amyltetrazol-5-yl)methyl-(4-methylbenzyl)amino]methyl]-7-methyl-carbostyril 3-[[(1-tert-amyltetrazol-5-yl)me…

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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)	3.74	9.71	-13.99	1	7	0	80	444.583	8	↓ MOL2 SDF SMILES Flexibase

1373371

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1-tert-butyltetrazol-5-yl)methyl-(4-methylbenzyl)amino]methyl]-5,7-dimethyl-carbostyril 3-[[(1-tert-butyltetrazol-5-yl)m…

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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)	3.91	9.61	-14.26	1	7	0	80	444.583	7	↓ MOL2 SDF SMILES Flexibase

1373373

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1-tert-amyltetrazol-5-yl)methyl-(4-methylbenzyl)amino]methyl]-5,7-dimethyl-carbostyril 3-[[(1-tert-amyltetrazol-5-yl)me…

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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)	4.42	10.24	-13.66	1	7	0	80	458.61	8	↓ MOL2 SDF SMILES Flexibase

1373449

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1-tert-butyltetrazol-5-yl)methyl-(4-methylbenzyl)amino]methyl]-5,8-dimethyl-carbostyril 3-[[(1-tert-butyltetrazol-5-yl)m…

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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)	3.91	10.64	-11.13	1	7	0	80	444.583	7	↓ MOL2 SDF SMILES Flexibase

1373451

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1-tert-amyltetrazol-5-yl)methyl-(4-methylbenzyl)amino]methyl]-5,8-dimethyl-carbostyril 3-[[(1-tert-amyltetrazol-5-yl)me…

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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)	4.42	10.36	-13.79	1	7	0	80	458.61	8	↓ MOL2 SDF SMILES Flexibase

1373471

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1-tert-amyltetrazol-5-yl)methyl-(4-methylbenzyl)amino]methyl]-6-methoxy-carbostyril 3-[[(1-tert-amyltetrazol-5-yl)me…

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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)	3.35	8.06	-15.67	1	8	0	89	460.582	9	↓ MOL2 SDF SMILES Flexibase

1373487

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1-tert-butyltetrazol-5-yl)methyl-(4-methylbenzyl)amino]methyl]-7-methoxy-carbostyril 3-[[(1-tert-butyltetrazol-5-yl)m…

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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)	2.84	7.73	-16	1	8	0	89	446.555	8	↓ MOL2 SDF SMILES Flexibase

1373489

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1-tert-amyltetrazol-5-yl)methyl-(4-methylbenzyl)amino]methyl]-7-methoxy-carbostyril 3-[[(1-tert-amyltetrazol-5-yl)me…

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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)	3.35	8.35	-15.42	1	8	0	89	460.582	9	↓ MOL2 SDF SMILES Flexibase

1373576

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl-(4-methylbenzyl)amino]methyl]tetrazol-1-yl]aceti 2-[5-[[(2-keto-5,7-dimethyl-1H-q…

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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)	2.97	10.45	-14.74	1	9	0	106	474.565	10	↓ MOL2 SDF SMILES Flexibase

1373577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl-(4-methylbenzyl)amino]methyl]tetrazol-1-yl]aceti 2-[5-[[(2-keto-7,8-dimethyl-1H-q…

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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	10.54	-14.9	1	9	0	106	474.565	10	↓ MOL2 SDF SMILES Flexibase

1373579

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl-(4-methylbenzyl)amino]methyl]tetrazol-1-yl]aceti 2-[5-[[(2-keto-5,8-dimethyl-1H-q…

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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)	2.97	10.55	-14.74	1	9	0	106	474.565	10	↓ MOL2 SDF SMILES Flexibase

1373581

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl-(4-methylbenzyl)amino]methyl]tetrazol-1-yl]acetic-a 2-[5-[[(2-keto-6-methoxy-1H-quin…

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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)	1.90	8.51	-15.69	1	10	0	115	476.537	11	↓ MOL2 SDF SMILES Flexibase

1373583

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl-(4-methylbenzyl)amino]methyl]tetrazol-1-yl]acetic-a 2-[5-[[(2-keto-7-methoxy-1H-quin…

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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)	1.90	8.54	-16.05	1	10	0	115	476.537	11	↓ MOL2 SDF SMILES Flexibase

1373587

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[benzyl-[(1-tert-butyltetrazol-5-yl)methyl]amino]methyl]-6,7-dimethoxy-carbostyril 3-[[benzyl-[(1-tert-butyltetrazo…

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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	7.76	-14.78	1	9	0	98	462.554	9	↓ MOL2 SDF SMILES Flexibase

1373589

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1-tert-butyltetrazol-5-yl)methyl-(4-fluorobenzyl)amino]methyl]-6,7-dimethoxy-carbostyril 3-[[(1-tert-butyltetrazol-5-yl)m…

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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)	2.15	7.14	-16.94	1	9	0	98	480.544	9	↓ MOL2 SDF SMILES Flexibase

1373608

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1-tert-amyltetrazol-5-yl)methyl-benzyl-amino]methyl]-6,7-dimethoxy-carbostyril 3-[[(1-tert-amyltetrazol-5-yl)me…

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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	8.25	-14.65	1	9	0	98	476.581	10	↓ MOL2 SDF SMILES Flexibase

1373610

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1-tert-amyltetrazol-5-yl)methyl-(4-fluorobenzyl)amino]methyl]-6,7-dimethoxy-carbostyril 3-[[(1-tert-amyltetrazol-5-yl)me…

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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)	2.65	8.31	-14.55	1	9	0	98	494.571	10	↓ MOL2 SDF SMILES Flexibase

1373612

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1-tert-amyltetrazol-5-yl)methyl-p-anisyl-amino]methyl]-6,7-dimethoxy-carbostyril 3-[[(1-tert-amyltetrazol-5-yl)me…

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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	6.89	-17.44	1	10	0	107	506.607	11	↓ MOL2 SDF SMILES Flexibase

1373664

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[[benzyl-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetic-acid- 2-[5-[[benzyl-[(2-keto-6,7-dimet…

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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	7.78	-16.96	1	11	0	124	492.536	12	↓ MOL2 SDF SMILES Flexibase

1373666

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[[(4-fluorobenzyl)-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]ac 2-[5-[[(4-fluorobenzyl)-[(2-keto…

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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)	1.20	7.85	-16.75	1	11	0	124	510.526	12	↓ MOL2 SDF SMILES Flexibase

1373670

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1-tert-butyltetrazol-5-yl)methyl-(4-methylbenzyl)amino]methyl]-6,7-dimethoxy-carbostyril 3-[[(1-tert-butyltetrazol-5-yl)m…

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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)	2.43	7.65	-17.04	1	9	0	98	476.581	9	↓ MOL2 SDF SMILES Flexibase

1373672

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1-tert-amyltetrazol-5-yl)methyl-(4-methylbenzyl)amino]methyl]-6,7-dimethoxy-carbostyril 3-[[(1-tert-amyltetrazol-5-yl)me…

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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)	2.94	8.27	-16.53	1	9	0	98	490.608	10	↓ MOL2 SDF SMILES Flexibase

1374087

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[benzyl-[(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]amino]methyl]-7-methyl-carbostyril 3-[[benzyl-[(1S)-1-(1-tert-butyl…

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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)	3.85	9.87	-17.18	1	7	0	80	444.583	8	↓ MOL2 SDF SMILES Flexibase

1374088

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[benzyl-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]amino]methyl]-7-methyl-carbostyril 3-[[benzyl-[(1R)-1-(1-tert-butyl…

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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)	3.85	9.51	-23.14	1	7	0	80	444.583	8	↓ MOL2 SDF SMILES Flexibase

1374091

Analogs

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Popular Name: 3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-(4-fluorobenzyl)amino]methyl]-7-methyl-carbostyril 3-[[[(1S)-1-(1-tert-butyltetrazo…

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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)	4.01	9.67	-13.89	1	7	0	80	462.573	8	↓ MOL2 SDF SMILES Flexibase

1374092

Analogs

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Popular Name: 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(4-fluorobenzyl)amino]methyl]-7-methyl-carbostyril 3-[[[(1R)-1-(1-tert-butyltetrazo…

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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)	4.01	9.8	-23.49	1	7	0	80	462.573	8	↓ MOL2 SDF SMILES Flexibase

1374094

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-p-anisyl-amino]methyl]-7-methyl-carbostyril 3-[[[(1S)-1-(1-tert-butyltetrazo…

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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	8.91	-13.72	1	8	0	89	474.609	9	↓ MOL2 SDF SMILES Flexibase

1374095

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-p-anisyl-amino]methyl]-7-methyl-carbostyril 3-[[[(1R)-1-(1-tert-butyltetrazo…

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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	9.03	-23.61	1	8	0	89	474.609	9	↓ MOL2 SDF SMILES Flexibase

1374117

Analogs

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Popular Name: 3-[[[(1S)-1-(1-tert-amyltetrazol-5-yl)propyl]-benzyl-amino]methyl]-7-methyl-carbostyril 3-[[[(1S)-1-(1-tert-amyltetrazol…

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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)	4.35	10.02	-11.43	1	7	0	80	458.61	9	↓ MOL2 SDF SMILES Flexibase

1374118

Analogs

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Popular Name: 3-[[[(1R)-1-(1-tert-amyltetrazol-5-yl)propyl]-benzyl-amino]methyl]-7-methyl-carbostyril 3-[[[(1R)-1-(1-tert-amyltetrazol…

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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)	4.35	10.46	-13.5	1	7	0	80	458.61	9	↓ MOL2 SDF SMILES Flexibase

1374121

Analogs

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Popular Name: 3-[[[(1S)-1-(1-tert-amyltetrazol-5-yl)propyl]-p-anisyl-amino]methyl]-7-methyl-carbostyril 3-[[[(1S)-1-(1-tert-amyltetrazol…

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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	9.39	-13.69	1	8	0	89	488.636	10	↓ MOL2 SDF SMILES Flexibase

1374123

Analogs

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Popular Name: 3-[[[(1R)-1-(1-tert-amyltetrazol-5-yl)propyl]-p-anisyl-amino]methyl]-7-methyl-carbostyril 3-[[[(1R)-1-(1-tert-amyltetrazol…

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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	9.52	-23.64	1	8	0	89	488.636	10	↓ MOL2 SDF SMILES Flexibase

1374220

Analogs

13064764
13064765

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Popular Name: 2-[5-[(1S)-1-[benzyl-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetic-aci 2-[5-[(1S)-1-[benzyl-[(2-keto-7-…

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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)	2.90	10.25	-14.34	1	9	0	106	474.565	11	↓ MOL2 SDF SMILES Flexibase

1374221

Analogs

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Popular Name: 2-[5-[(1R)-1-[benzyl-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetic-aci 2-[5-[(1R)-1-[benzyl-[(2-keto-7-…

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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)	2.90	10.42	-22.68	1	9	0	106	474.565	11	↓ MOL2 SDF SMILES Flexibase

1374224

Analogs

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Popular Name: 2-[5-[(1S)-1-[(4-fluorobenzyl)-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl] 2-[5-[(1S)-1-[(4-fluorobenzyl)-[…

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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)	3.06	10.31	-14.57	1	9	0	106	492.555	11	↓ MOL2 SDF SMILES Flexibase

1374225

Analogs

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Popular Name: 2-[5-[(1R)-1-[(4-fluorobenzyl)-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl] 2-[5-[(1R)-1-[(4-fluorobenzyl)-[…

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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)	3.06	10.48	-21.06	1	9	0	106	492.555	11	↓ MOL2 SDF SMILES Flexibase

1374228

Analogs

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Popular Name: 2-[5-[(1S)-1-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl-p-anisyl-amino]propyl]tetrazol-1-yl]acetic-ac 2-[5-[(1S)-1-[(2-keto-7-methyl-1…

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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	9.55	-15.06	1	10	0	115	504.591	12	↓ MOL2 SDF SMILES Flexibase

1374230

Analogs

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Popular Name: 2-[5-[(1R)-1-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl-p-anisyl-amino]propyl]tetrazol-1-yl]acetic-ac 2-[5-[(1R)-1-[(2-keto-7-methyl-1…

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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	9.73	-22.37	1	10	0	115	504.591	12	↓ MOL2 SDF SMILES Flexibase

1374250

Analogs

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Popular Name: 2-[5-[(1S)-1-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl-o-anisyl-amino]propyl]tetrazol-1-yl]acetic-ac 2-[5-[(1S)-1-[(2-keto-7-methyl-1…

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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)	2.91	9.4	-18.26	1	10	0	115	504.591	12	↓ MOL2 SDF SMILES Flexibase

1374253

Analogs

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Popular Name: 2-[5-[(1R)-1-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl-o-anisyl-amino]propyl]tetrazol-1-yl]acetic-ac 2-[5-[(1R)-1-[(2-keto-7-methyl-1…

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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)	2.91	9.97	-23.97	1	10	0	115	504.591	12	↓ MOL2 SDF SMILES Flexibase

1374254

Analogs

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Popular Name: 3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-(4-methylbenzyl)amino]methyl]-7-methyl-carbostyril 3-[[[(1S)-1-(1-tert-butyltetrazo…

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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)	4.30	10.28	-11.98	1	7	0	80	458.61	8	↓ MOL2 SDF SMILES Flexibase

1374255

Analogs

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Popular Name: 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(4-methylbenzyl)amino]methyl]-7-methyl-carbostyril 3-[[[(1R)-1-(1-tert-butyltetrazo…

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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)	4.30	10.4	-22.13	1	7	0	80	458.61	8	↓ MOL2 SDF SMILES Flexibase

1374346

Analogs

13063999
13064000

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Popular Name: 3-[[benzyl-[(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]amino]methyl]-6-methoxy-carbostyril 3-[[benzyl-[(1S)-1-(1-tert-butyl…

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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)	3.46	8.48	-17.56	1	8	0	89	460.582	9	↓ MOL2 SDF SMILES Flexibase

1374347

Analogs

13063999
13064000

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[benzyl-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]amino]methyl]-6-methoxy-carbostyril 3-[[benzyl-[(1R)-1-(1-tert-butyl…

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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)	3.46	8.13	-21.66	1	8	0	89	460.582	9	↓ MOL2 SDF SMILES Flexibase

1374350

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-(4-fluorobenzyl)amino]methyl]-6-methoxy-carbostyril 3-[[[(1S)-1-(1-tert-butyltetrazo…

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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)	3.62	8.29	-19.5	1	8	0	89	478.572	9	↓ MOL2 SDF SMILES Flexibase

1374351

Analogs

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Popular Name: 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(4-fluorobenzyl)amino]methyl]-6-methoxy-carbostyril 3-[[[(1R)-1-(1-tert-butyltetrazo…

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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)	3.62	8.42	-22.13	1	8	0	89	478.572	9	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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