ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

38590468

Analogs

38590470
38590661
38590665
38591550
38591552

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-2-[2-(4-methoxyphenyl)ethyl…

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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)	5.50	14.04	-11.58	0	5	0	60	439.511	5	↓ MOL2 SDF SMILES Flexibase

38590470

Analogs

38590661
38590665
38591956
38591960
38593093

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-2-[2-(4-methoxyphenyl)ethyl…

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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)	5.50	13.64	-11.11	0	5	0	60	439.511	5	↓ MOL2 SDF SMILES Flexibase

38590472

Analogs

38590474
38590668
38590672
38591555
38591559

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[2-(3,4-dimethoxyphenyl)ethyl]-6,8-dimethyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-2-[2-(3,4-dimethoxyphenyl)e…

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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)	5.09	13.94	-13.65	0	6	0	69	469.537	6	↓ MOL2 SDF SMILES Flexibase

38590474

Analogs

38590668
38590672
38591555
38591559
38591963

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-6,8-dimethyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-2-[2-(3,4-dimethoxyphenyl)e…

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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)	5.09	13.54	-13.03	0	6	0	69	469.537	6	↓ MOL2 SDF SMILES Flexibase

38590576

Analogs

38590578

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dion (1S)-1-(4-chlorophenyl)-2-[2-(4-…

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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)	6.18	14.57	-11.48	0	5	0	60	473.956	5	↓ MOL2 SDF SMILES Flexibase

38590578

Analogs

38590576

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dion (1R)-1-(4-chlorophenyl)-2-[2-(4-…

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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)	6.18	14.16	-10.85	0	5	0	60	473.956	5	↓ MOL2 SDF SMILES Flexibase

38590580

Analogs

38590582

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9- (1S)-1-(4-chlorophenyl)-2-[2-(3,…

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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	14.47	-13.54	0	6	0	69	503.982	6	↓ MOL2 SDF SMILES Flexibase

38590582

Analogs

38590580

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9- (1R)-1-(4-chlorophenyl)-2-[2-(3,…

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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	14.06	-12.91	0	6	0	69	503.982	6	↓ MOL2 SDF SMILES Flexibase

38590661

Analogs

38590665
38591956
38591960
38593093
38593095

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1-(p-tolyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-2-[2-(4-methoxyphenyl)ethyl…

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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)	5.95	14.3	-11.03	0	5	0	60	453.538	5	↓ MOL2 SDF SMILES Flexibase

38590665

Analogs

38591956
38591960
38593093
38593095
40057632

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1-(p-tolyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-2-[2-(4-methoxyphenyl)ethyl…

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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)	5.95	14.71	-11.58	0	5	0	60	453.538	5	↓ MOL2 SDF SMILES Flexibase

38590668

Analogs

38590672
38591555
38591559
38591963
38591968

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-6,8-dimethyl-1-(p-tolyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-2-[2-(3,4-dimethoxyphenyl)e…

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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)	5.54	14.2	-13.03	0	6	0	69	483.564	6	↓ MOL2 SDF SMILES Flexibase

38590672

Analogs

38591963
38591968
38593098
38593101
40057635

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[2-(3,4-dimethoxyphenyl)ethyl]-6,8-dimethyl-1-(p-tolyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-2-[2-(3,4-dimethoxyphenyl)e…

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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)	5.54	14.61	-13.64	0	6	0	69	483.564	6	↓ MOL2 SDF SMILES Flexibase

38590904

Analogs

38590908

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dion (1S)-1-(4-fluorophenyl)-2-[2-(4-…

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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)	5.66	14.12	-11.97	0	5	0	60	457.501	5	↓ MOL2 SDF SMILES Flexibase

38590908

Analogs

38590904

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dion (1R)-1-(4-fluorophenyl)-2-[2-(4-…

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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)	5.66	13.71	-11.28	0	5	0	60	457.501	5	↓ MOL2 SDF SMILES Flexibase

38591045

Analogs

40513209

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9- (1R)-1-(3,4-dichlorophenyl)-2-[2…

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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)	6.78	14.61	-10.68	0	5	0	60	508.401	5	↓ MOL2 SDF SMILES Flexibase

38591150

Analogs

38591153

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-bromophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(4-bromophenyl)-2-[2-(4-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)	6.31	14.68	-11.37	0	5	0	60	518.407	5	↓ MOL2 SDF SMILES Flexibase

38591153

Analogs

38591150

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-bromophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(4-bromophenyl)-2-[2-(4-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)	6.31	14.26	-10.71	0	5	0	60	518.407	5	↓ MOL2 SDF SMILES Flexibase

38591330

Analogs

38591332
40057759
40057761

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-ethoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dion (1R)-1-(4-ethoxyphenyl)-2-[2-(4-…

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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)	5.93	13.85	-12.01	0	6	0	69	483.564	7	↓ MOL2 SDF SMILES Flexibase

38591332

Analogs

40057759
40057761
38591330

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-ethoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dion (1S)-1-(4-ethoxyphenyl)-2-[2-(4-…

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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)	5.93	14.26	-12.85	0	6	0	69	483.564	7	↓ MOL2 SDF SMILES Flexibase

38591334

Analogs

38591336

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9- (1R)-2-[2-(3,4-dimethoxyphenyl)e…

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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)	5.52	13.75	-14.09	0	7	0	78	513.59	8	↓ MOL2 SDF SMILES Flexibase

38591336

Analogs

38591334

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9- (1S)-2-[2-(3,4-dimethoxyphenyl)e…

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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)	5.52	14.16	-14.97	0	7	0	78	513.59	8	↓ MOL2 SDF SMILES Flexibase

38591417

Analogs

38591421
38591859
38593824
38593826
40057822

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-ethoxy-3-methoxy-phenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrro (1R)-1-(4-ethoxy-3-methoxy-pheny…

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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)	5.52	13.75	-13.36	0	7	0	78	513.59	8	↓ MOL2 SDF SMILES Flexibase

38591421

Analogs

38591859
38593824
38593826
40057822
40057824

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-ethoxy-3-methoxy-phenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrro (1S)-1-(4-ethoxy-3-methoxy-pheny…

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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)	5.52	14.15	-14.26	0	7	0	78	513.59	8	↓ MOL2 SDF SMILES Flexibase

38591550

Analogs

38591552
38594270
38594272
40057632
40057633

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-tert-butylphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9- (1S)-1-(4-tert-butylphenyl)-2-[2…

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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)	7.21	16.37	-11.22	0	5	0	60	495.619	6	↓ MOL2 SDF SMILES Flexibase

38591552

Analogs

38594270
38594272
40057632
40057633
40058603

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-tert-butylphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9- (1R)-1-(4-tert-butylphenyl)-2-[2…

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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)	7.21	15.96	-10.61	0	5	0	60	495.619	6	↓ MOL2 SDF SMILES Flexibase

38591555

Analogs

38591559
38594274
38594276
40057635
40057636

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-tert-butylphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole- (1S)-1-(4-tert-butylphenyl)-2-[2…

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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)	6.79	16.26	-13.26	0	6	0	69	525.645	7	↓ MOL2 SDF SMILES Flexibase

38591559

Analogs

38594274
38594276
40057635
40057636
38591555

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-tert-butylphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole- (1R)-1-(4-tert-butylphenyl)-2-[2…

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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)	6.79	15.86	-12.53	0	6	0	69	525.645	7	↓ MOL2 SDF SMILES Flexibase

38591663

Analogs

38591667
38591672
38591676
38591761
38591765

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9 (1S)-1-(3,4-dimethoxyphenyl)-2-[…

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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)	5.15	13.25	-14.47	0	7	0	78	499.563	7	↓ MOL2 SDF SMILES Flexibase

38591667

Analogs

38591672
38591676
38591761
38591765
38591663

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9 (1R)-1-(3,4-dimethoxyphenyl)-2-[…

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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)	5.15	12.84	-13.5	0	7	0	78	499.563	7	↓ MOL2 SDF SMILES Flexibase

38591672

Analogs

38591676
38591761
38591765
38591663
38591667

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Popular Name: (1S)-1-(3,4-dimethoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole (1S)-1-(3,4-dimethoxyphenyl)-2-[…

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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)	4.74	13.15	-16.55	0	8	0	87	529.589	8	↓ MOL2 SDF SMILES Flexibase

38591676

Analogs

38591761
38591765
38591663
38591667
38591672

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3,4-dimethoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole (1R)-1-(3,4-dimethoxyphenyl)-2-[…

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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)	4.74	12.74	-15.46	0	8	0	87	529.589	8	↓ MOL2 SDF SMILES Flexibase

38591761

Analogs

38591765
38591663
38591667
38591672
38591676

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-hydroxy-3-methoxy-phenyl)-6,8-dimethyl-1H-chromeno[2,3-c] (1S)-2-[2-(3,4-dimethoxyphenyl)e…

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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)	4.43	11.08	-16.05	1	8	0	98	515.562	7	↓ MOL2 SDF SMILES Flexibase

38591765

Analogs

8612870

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-hydroxy-3-methoxy-phenyl)-6,8-dimethyl-1H-chromeno[2,3-c] (1R)-2-[2-(3,4-dimethoxyphenyl)e…

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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)	4.43	10.67	-15.74	1	8	0	98	515.562	7	↓ MOL2 SDF SMILES Flexibase

38591853

Analogs

38591855
38591857
38591859
38593824
38593826

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-ethoxy-4-hydroxy-phenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrro (1R)-1-(3-ethoxy-4-hydroxy-pheny…

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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)	5.21	11.7	-12.81	1	7	0	89	499.563	7	↓ MOL2 SDF SMILES Flexibase

38591855

Analogs

38591857
38591859
38593545
38593547
38593824

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-ethoxy-4-hydroxy-phenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrro (1S)-1-(3-ethoxy-4-hydroxy-pheny…

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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)	5.21	12.07	-14.41	1	7	0	89	499.563	7	↓ MOL2 SDF SMILES Flexibase

38591857

Analogs

38591859
38593545
38593547
38593824
38593826

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-ethoxy-4-hydroxy-phenyl)-6,8-dimethyl-1H-chromeno[2,3-c]p (1R)-2-[2-(3,4-dimethoxyphenyl)e…

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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)	4.80	11.58	-14.89	1	8	0	98	529.589	8	↓ MOL2 SDF SMILES Flexibase

38591859

Analogs

38593545
38593547
38593824
38593826
40058080

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-ethoxy-4-hydroxy-phenyl)-6,8-dimethyl-1H-chromeno[2,3-c]p (1S)-2-[2-(3,4-dimethoxyphenyl)e…

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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)	4.80	11.98	-16.45	1	8	0	98	529.589	8	↓ MOL2 SDF SMILES Flexibase

38591956

Analogs

38591960
38593093
38593095
40057632
40057633

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-ethylphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(4-ethylphenyl)-2-[2-(4-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)	6.41	15.07	-10.8	0	5	0	60	467.565	6	↓ MOL2 SDF SMILES Flexibase

38591960

Analogs

40057632
40057633
40058603
40058605
38590468

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-ethylphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(4-ethylphenyl)-2-[2-(4-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)	6.41	15.47	-11.46	0	5	0	60	467.565	6	↓ MOL2 SDF SMILES Flexibase

38591963

Analogs

38591968
38593098
38593101
40057635
40057636

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethylphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-d (1R)-2-[2-(3,4-dimethoxyphenyl)e…

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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)	6.00	14.97	-12.77	0	6	0	69	497.591	7	↓ MOL2 SDF SMILES Flexibase

38591968

Analogs

38593098
38593101
40057635
40057636
38590472

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethylphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-d (1S)-2-[2-(3,4-dimethoxyphenyl)e…

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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)	6.00	15.37	-13.44	0	6	0	69	497.591	7	↓ MOL2 SDF SMILES Flexibase

38592107

Analogs

38592110
40058218
40058220

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole- (1S)-2-[2-(4-methoxyphenyl)ethyl…

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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)	5.13	13.17	-15.29	0	8	0	87	529.589	8	↓ MOL2 SDF SMILES Flexibase

38592110

Analogs

40058218
40058220
38592107

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole- (1R)-2-[2-(4-methoxyphenyl)ethyl…

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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)	5.13	12.75	-14.49	0	8	0	87	529.589	8	↓ MOL2 SDF SMILES Flexibase

38592269

Analogs

38592273
40058255
40058257
9200196
9200201

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dio (1S)-1-(3-methoxyphenyl)-2-[2-(4…

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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)	5.53	13.35	-12.43	0	6	0	69	469.537	6	↓ MOL2 SDF SMILES Flexibase

38592273

Analogs

40058255
40058257
38592269
9200196
9200201

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dio (1R)-1-(3-methoxyphenyl)-2-[2-(4…

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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)	5.53	12.95	-12.04	0	6	0	69	469.537	6	↓ MOL2 SDF SMILES Flexibase

38592486

Analogs

38592488
38592965
38592967
40058320
40058372

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-butoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dion (1R)-1-(4-butoxyphenyl)-2-[2-(4-…

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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)	6.99	15.43	-11.73	0	6	0	69	511.618	9	↓ MOL2 SDF SMILES Flexibase

38592488

Analogs

38592965
38592967
40058320
40058372
40058374

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-butoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dion (1S)-1-(4-butoxyphenyl)-2-[2-(4-…

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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)	6.99	15.83	-12.56	0	6	0	69	511.618	9	↓ MOL2 SDF SMILES Flexibase

38592592

Analogs

38592595
40058417
40058419

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-allyloxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-di (1S)-1-(4-allyloxyphenyl)-2-[2-(…

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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)	6.20	14.86	-12.81	0	6	0	69	495.575	8	↓ MOL2 SDF SMILES Flexibase

38592595

Analogs

40058417
40058419
38592592

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-allyloxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-di (1R)-1-(4-allyloxyphenyl)-2-[2-(…

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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)	6.20	14.46	-12.07	0	6	0	69	495.575	8	↓ MOL2 SDF SMILES Flexibase

38592597

Analogs

38592601

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-allyloxyphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3, (1S)-1-(4-allyloxyphenyl)-2-[2-(…

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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)	5.79	14.76	-14.89	0	7	0	78	525.601	9	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 594457
filter.purchasability = annotated
page.format = targets
page.num = 1

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 INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 594457 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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