ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

38592626

Analogs

40513247
40513250
40513251

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-benzyloxyphenyl)-2-(2-hydroxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(4-benzyloxyphenyl)-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)	4.66	10.92	-15.02	1	6	0	80	455.51	6	↓ MOL2 SDF SMILES Flexibase

38592708

Analogs

38592710

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-benzyloxyphenyl)-2-(3-isopropoxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(4-benzyloxyphenyl)-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)	6.28	15.79	-12.46	0	6	0	69	511.618	9	↓ MOL2 SDF SMILES Flexibase

38592710

Analogs

38592708

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-benzyloxyphenyl)-2-(3-isopropoxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(4-benzyloxyphenyl)-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)	6.28	15.39	-13.12	0	6	0	69	511.618	9	↓ MOL2 SDF SMILES Flexibase

38592858

Analogs

38592860
38592867
38592869
38593973
38593976

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-benzyloxy-3-methoxy-phenyl)-2-(2-hydroxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9- (1S)-1-(4-benzyloxy-3-methoxy-ph…

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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)	4.25	10.82	-16.47	1	7	0	89	485.536	7	↓ MOL2 SDF SMILES Flexibase

38592860

Analogs

38592867
38592869
38593973
38593976
38592858

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-benzyloxy-3-methoxy-phenyl)-2-(2-hydroxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9- (1R)-1-(4-benzyloxy-3-methoxy-ph…

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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)	4.25	10.5	-15.95	1	7	0	89	485.536	7	↓ MOL2 SDF SMILES Flexibase

38592862

Analogs

38592865
38592871
38592874
38593978
38593981

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-benzyloxy-3-methoxy-phenyl)-2-(3-hydroxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9 (1S)-1-(4-benzyloxy-3-methoxy-ph…

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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)	4.52	11.57	-15.37	1	7	0	89	499.563	8	↓ MOL2 SDF SMILES Flexibase

38592865

Analogs

38592871
38592874
38593978
38593981
38592862

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-benzyloxy-3-methoxy-phenyl)-2-(3-hydroxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9 (1R)-1-(4-benzyloxy-3-methoxy-ph…

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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)	4.52	11.16	-15.31	1	7	0	89	499.563	8	↓ MOL2 SDF SMILES Flexibase

38592867

Analogs

38592869
38593983
38593986
38592858
38592860

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-benzyloxy-3-methoxy-phenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9- (1S)-1-(4-benzyloxy-3-methoxy-ph…

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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	13.23	-15.49	0	7	0	78	499.563	8	↓ MOL2 SDF SMILES Flexibase

38592869

Analogs

38593983
38593986
38592858
38592860
38592867

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-benzyloxy-3-methoxy-phenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9- (1R)-1-(4-benzyloxy-3-methoxy-ph…

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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	12.9	-15.05	0	7	0	78	499.563	8	↓ MOL2 SDF SMILES Flexibase

38592871

Analogs

38592874
38593988
38593990
38592862
38592865

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-benzyloxy-3-methoxy-phenyl)-2-(3-methoxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9 (1S)-1-(4-benzyloxy-3-methoxy-ph…

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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	13.97	-14.37	0	7	0	78	513.59	9	↓ MOL2 SDF SMILES Flexibase

38592874

Analogs

38593988
38593990
38592862
38592865
38592871

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-benzyloxy-3-methoxy-phenyl)-2-(3-methoxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9 (1R)-1-(4-benzyloxy-3-methoxy-ph…

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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	13.57	-14.35	0	7	0	78	513.59	9	↓ MOL2 SDF SMILES Flexibase

38592876

Analogs

38592879
38593993
38593995

Draw Identity 99% 90% 80% 70%

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

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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)	5.76	14.86	-12.74	0	6	0	69	483.564	7	↓ MOL2 SDF SMILES Flexibase

38592879

Analogs

38593993
38593995
38592876

Draw Identity 99% 90% 80% 70%

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

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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)	5.76	14.47	-13.07	0	6	0	69	483.564	7	↓ MOL2 SDF SMILES Flexibase

38592882

Analogs

38592884
38592886
38592888
38593998
38594001

Draw Identity 99% 90% 80% 70%

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

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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)	6.32	15.64	-12.74	0	6	0	69	497.591	8	↓ MOL2 SDF SMILES Flexibase

38592884

Analogs

38592886
38592888
38593998
38594001
38592882

Draw Identity 99% 90% 80% 70%

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

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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)	6.32	15.26	-13.08	0	6	0	69	497.591	8	↓ MOL2 SDF SMILES Flexibase

38592886

Analogs

38592888
38594004
38594006
38592882
38592884

Draw Identity 99% 90% 80% 70%

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

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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)	6.82	16.42	-12.67	0	6	0	69	511.618	9	↓ MOL2 SDF SMILES Flexibase

38592888

Analogs

38594004
38594006
38592882
38592884
38592886

Draw Identity 99% 90% 80% 70%

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

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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)	6.82	16.03	-13.02	0	6	0	69	511.618	9	↓ MOL2 SDF SMILES Flexibase

38592890

Analogs

38592892
38594009
38594011

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-allyl-1-(4-benzyloxy-3-methoxy-phenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-2-allyl-1-(4-benzyloxy-3-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)	5.52	14.7	-12.92	0	6	0	69	481.548	7	↓ MOL2 SDF SMILES Flexibase

38592892

Analogs

38594009
38594011
38592890

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-allyl-1-(4-benzyloxy-3-methoxy-phenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-2-allyl-1-(4-benzyloxy-3-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)	5.52	14.31	-12.79	0	6	0	69	481.548	7	↓ MOL2 SDF SMILES Flexibase

38593973

Analogs

38593976
38593983
38593986
38592858
38592860

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-benzyloxy-3-ethoxy-phenyl)-2-(2-hydroxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-d (1R)-1-(4-benzyloxy-3-ethoxy-phe…

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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)	4.62	11.4	-15.82	1	7	0	89	499.563	8	↓ MOL2 SDF SMILES Flexibase

38593976

Analogs

38593983
38593986
38592858
38592860
38593973

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-benzyloxy-3-ethoxy-phenyl)-2-(2-hydroxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-d (1S)-1-(4-benzyloxy-3-ethoxy-phe…

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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)	4.62	11.73	-16.41	1	7	0	89	499.563	8	↓ MOL2 SDF SMILES Flexibase

38593978

Analogs

38593981
38593988
38593990
38592862
38592865

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-benzyloxy-3-ethoxy-phenyl)-2-(3-hydroxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9- (1R)-1-(4-benzyloxy-3-ethoxy-phe…

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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)	4.89	12.06	-15.29	1	7	0	89	513.59	9	↓ MOL2 SDF SMILES Flexibase

38593981

Analogs

38593988
38593990
38592862
38592865
38593978

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-benzyloxy-3-ethoxy-phenyl)-2-(3-hydroxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9- (1S)-1-(4-benzyloxy-3-ethoxy-phe…

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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)	4.89	12.47	-15.21	1	7	0	89	513.59	9	↓ MOL2 SDF SMILES Flexibase

38593983

Analogs

38593986
38592867
38592869
38593973
38593976

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-benzyloxy-3-ethoxy-phenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-d (1R)-1-(4-benzyloxy-3-ethoxy-phe…

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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)	5.24	13.8	-14.97	0	7	0	78	513.59	9	↓ MOL2 SDF SMILES Flexibase

38593986

Analogs

38592867
38592869
38593973
38593976
38593983

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-benzyloxy-3-ethoxy-phenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-d (1S)-1-(4-benzyloxy-3-ethoxy-phe…

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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)	5.24	14.13	-15.41	0	7	0	78	513.59	9	↓ MOL2 SDF SMILES Flexibase

38593988

Analogs

38593990
38592871
38592874
38593978
38593981

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-benzyloxy-3-ethoxy-phenyl)-2-(3-methoxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9- (1R)-1-(4-benzyloxy-3-ethoxy-phe…

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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)	5.51	14.48	-14.18	0	7	0	78	527.617	10	↓ MOL2 SDF SMILES Flexibase

38593990

Analogs

38592871
38592874
38593978
38593981
38593988

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-benzyloxy-3-ethoxy-phenyl)-2-(3-methoxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9- (1S)-1-(4-benzyloxy-3-ethoxy-phe…

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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)	5.51	14.87	-14.33	0	7	0	78	527.617	10	↓ MOL2 SDF SMILES Flexibase

38593993

Analogs

38593995
38592876
38592879

Draw Identity 99% 90% 80% 70%

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

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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)	6.13	15.78	-12.59	0	6	0	69	497.591	8	↓ MOL2 SDF SMILES Flexibase

38593995

Analogs

38592876
38592879
38593993

Draw Identity 99% 90% 80% 70%

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

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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)	6.13	15.39	-12.98	0	6	0	69	497.591	8	↓ MOL2 SDF SMILES Flexibase

38593998

Analogs

38594001
38594004
38594006
38592882
38592884

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

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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)	6.69	16.56	-12.52	0	6	0	69	511.618	9	↓ MOL2 SDF SMILES Flexibase

38594001

Analogs

38594004
38594006
38592882
38592884
38593998

Draw Identity 99% 90% 80% 70%

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

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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)	6.69	16.18	-12.91	0	6	0	69	511.618	9	↓ MOL2 SDF SMILES Flexibase

38594004

Analogs

38594006
38592886
38592888
38593998
38594001

Draw Identity 99% 90% 80% 70%

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

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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)	7.20	17.34	-12.57	0	6	0	69	525.645	10	↓ MOL2 SDF SMILES Flexibase

38594006

Analogs

38592886
38592888
38593998
38594001
38594004

Draw Identity 99% 90% 80% 70%

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

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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)	7.20	16.95	-12.86	0	6	0	69	525.645	10	↓ MOL2 SDF SMILES Flexibase

38594009

Analogs

38594011
38592890
38592892

Draw Identity 99% 90% 80% 70%

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

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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)	5.90	15.22	-12.71	0	6	0	69	495.575	8	↓ MOL2 SDF SMILES Flexibase

38594011

Analogs

38592890
38592892
38594009

Draw Identity 99% 90% 80% 70%

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

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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)	5.90	15.6	-12.86	0	6	0	69	495.575	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 595133
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 = 595133 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=595133&filter.purchasability=annotated

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', {
        "ring.id": "595133"        

    });
</script>

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