ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

5561916

Analogs

39910798
39910799
39910982
39910983
39911072

Draw Identity 99% 90% 80% 70%

Popular Name: benzyl-(4-methoxyphenyl)-methyl-BLAHdione benzyl-(4-methoxyphenyl)-methyl-…

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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)	4.72	2.41	-10.83	0	5	0	59	411.457	4	↓ MOL2 SDF SMILES Flexibase

5561920

Analogs

39910892
39910893
39910982
39910983
39911072

Draw Identity 99% 90% 80% 70%

Popular Name: benzyl-(4-methoxyphenyl)-methyl-BLAHdione benzyl-(4-methoxyphenyl)-methyl-…

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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)	4.72	2.73	-11.33	0	5	0	59	411.457	4	↓ MOL2 SDF SMILES Flexibase

38590452

Analogs

38590454
38590456
38590458
38590633
38590637

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-benzyl-6,8-dimethyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-2-benzyl-6,8-dimethyl-1-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)	5.04	13.98	-9.9	0	4	0	51	395.458	3	↓ MOL2 SDF SMILES Flexibase

38590454

Analogs

38590456
38590458
38590633
38590637
38590640

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-benzyl-6,8-dimethyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-2-benzyl-6,8-dimethyl-1-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)	5.04	13.16	-9.6	0	4	0	51	395.458	3	↓ MOL2 SDF SMILES Flexibase

38590456

Analogs

38590458
38590633
38590637
38590640
38590644

Draw Identity 99% 90% 80% 70%

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

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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)	5.49	14.63	-9.99	0	4	0	51	409.485	3	↓ MOL2 SDF SMILES Flexibase

38590458

Analogs

38590633
38590637
38590640
38590644
38591926

Draw Identity 99% 90% 80% 70%

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

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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)	5.49	13.84	-9.96	0	4	0	51	409.485	3	↓ MOL2 SDF SMILES Flexibase

38590460

Analogs

38590462
38590648
38590651
38591942
38591945

Draw Identity 99% 90% 80% 70%

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

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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)	5.67	14.34	-10.67	0	4	0	51	429.903	3	↓ MOL2 SDF SMILES Flexibase

38590462

Analogs

38590648
38590651
38591942
38591945
40057674

Draw Identity 99% 90% 80% 70%

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

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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)	5.67	13.66	-10.37	0	4	0	51	429.903	3	↓ MOL2 SDF SMILES Flexibase

38590464

Analogs

38590466
38590654
38590657
38590881
38590883

Draw Identity 99% 90% 80% 70%

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

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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)	5.20	14.05	-10.32	0	4	0	51	413.448	3	↓ MOL2 SDF SMILES Flexibase

38590466

Analogs

38590654
38590657
38590881
38590883
38590886

Draw Identity 99% 90% 80% 70%

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

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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)	5.20	13.22	-9.91	0	4	0	51	413.448	3	↓ MOL2 SDF SMILES Flexibase

38590562

Analogs

38590564
38590566
40513181

Draw Identity 99% 90% 80% 70%

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

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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)	5.71	13.68	-9.01	0	4	0	51	429.903	3	↓ MOL2 SDF SMILES Flexibase

38590564

Analogs

38590566
40513181
38590562

Draw Identity 99% 90% 80% 70%

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

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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)	6.16	15.15	-9.6	0	4	0	51	443.93	3	↓ MOL2 SDF SMILES Flexibase

38590566

Analogs

40513181
38590562
38590564

Draw Identity 99% 90% 80% 70%

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

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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)	6.16	14.35	-9.39	0	4	0	51	443.93	3	↓ MOL2 SDF SMILES Flexibase

38590568

Analogs

38590570

Draw Identity 99% 90% 80% 70%

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

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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)	6.34	14.86	-10.36	0	4	0	51	464.348	3	↓ MOL2 SDF SMILES Flexibase

38590570

Analogs

38590568

Draw Identity 99% 90% 80% 70%

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

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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)	6.34	14.17	-9.63	0	4	0	51	464.348	3	↓ MOL2 SDF SMILES Flexibase

38590572

Analogs

38590574

Draw Identity 99% 90% 80% 70%

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

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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)	5.88	14.57	-10.35	0	4	0	51	447.893	3	↓ MOL2 SDF SMILES Flexibase

38590574

Analogs

38590572

Draw Identity 99% 90% 80% 70%

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

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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)	5.88	13.74	-9.9	0	4	0	51	447.893	3	↓ MOL2 SDF SMILES Flexibase

38590633

Analogs

38590637
38590640
38590644
38591926
38591930

Draw Identity 99% 90% 80% 70%

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

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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)	5.49	13.82	-9.59	0	4	0	51	409.485	3	↓ MOL2 SDF SMILES Flexibase

38590637

Analogs

38590640
38590644
38591926
38591930
38591934

Draw Identity 99% 90% 80% 70%

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

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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)	5.49	14.64	-9.91	0	4	0	51	409.485	3	↓ MOL2 SDF SMILES Flexibase

38590640

Analogs

38590644
38591926
38591930
38591934
38591938

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-6,8-dimethyl-1-(p-tolyl)-2-(p-tolylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-6,8-dimethyl-1-(p-tolyl)-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)	5.93	15.3	-9.89	0	4	0	51	423.512	3	↓ MOL2 SDF SMILES Flexibase

38590644

Analogs

38591926
38591930
38591934
38591938
38590452

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-6,8-dimethyl-1-(p-tolyl)-2-(p-tolylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-6,8-dimethyl-1-(p-tolyl)-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)	5.93	14.5	-9.89	0	4	0	51	423.512	3	↓ MOL2 SDF SMILES Flexibase

38590648

Analogs

38590651
38591942
38591945
40057674
40057676

Draw Identity 99% 90% 80% 70%

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

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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	14.33	-10.32	0	4	0	51	443.93	3	↓ MOL2 SDF SMILES Flexibase

38590651

Analogs

38591942
38591945
40057674
40057676
38590460

Draw Identity 99% 90% 80% 70%

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

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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	15	-10.76	0	4	0	51	443.93	3	↓ MOL2 SDF SMILES Flexibase

38590654

Analogs

38590657
38590881
38590883
38590886
38590889

Draw Identity 99% 90% 80% 70%

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

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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)	5.65	13.89	-9.92	0	4	0	51	427.475	3	↓ MOL2 SDF SMILES Flexibase

38590657

Analogs

38590881
38590883
38590886
38591948
38591952

Draw Identity 99% 90% 80% 70%

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

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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)	5.65	14.71	-10.31	0	4	0	51	427.475	3	↓ MOL2 SDF SMILES Flexibase

38590766

Analogs

38590769
38590772
38590774

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-benzyl-1-(3-bromophenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-2-benzyl-1-(3-bromophenyl)-…

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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)	5.82	14.6	-9.31	0	4	0	51	474.354	3	↓ MOL2 SDF SMILES Flexibase

38590769

Analogs

38590772
38590774
38590766

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-benzyl-1-(3-bromophenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-2-benzyl-1-(3-bromophenyl)-…

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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)	5.82	13.77	-8.81	0	4	0	51	474.354	3	↓ MOL2 SDF SMILES Flexibase

38590772

Analogs

38590774
38590766
38590769

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-bromophenyl)-6,8-dimethyl-2-(p-tolylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(3-bromophenyl)-6,8-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)	6.27	15.24	-9.41	0	4	0	51	488.381	3	↓ MOL2 SDF SMILES Flexibase

38590774

Analogs

38590766
38590769
38590772

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-bromophenyl)-6,8-dimethyl-2-(p-tolylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(3-bromophenyl)-6,8-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)	6.27	14.45	-8.85	0	4	0	51	488.381	3	↓ MOL2 SDF SMILES Flexibase

38590777

Analogs

40513192

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-bromophenyl)-2-[(2-chlorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(3-bromophenyl)-2-[(2-chl…

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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)	6.45	14.96	-9.96	0	4	0	51	508.799	3	↓ MOL2 SDF SMILES Flexibase

38590881

Analogs

38590883
38590886
38590889
38590898
38590901

Draw Identity 99% 90% 80% 70%

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

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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)	5.20	14.05	-10.04	0	4	0	51	413.448	3	↓ MOL2 SDF SMILES Flexibase

38590883

Analogs

38590886
38590889
38590898
38590901
38591948

Draw Identity 99% 90% 80% 70%

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

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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)	5.20	13.23	-9.45	0	4	0	51	413.448	3	↓ MOL2 SDF SMILES Flexibase

38590886

Analogs

38590889
38590898
38590901
38591948
38591952

Draw Identity 99% 90% 80% 70%

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

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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)	5.65	14.69	-10.01	0	4	0	51	427.475	3	↓ MOL2 SDF SMILES Flexibase

38590889

Analogs

38590898
38590901
38590881
38590883
38590886

Draw Identity 99% 90% 80% 70%

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

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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)	5.65	13.9	-9.9	0	4	0	51	427.475	3	↓ MOL2 SDF SMILES Flexibase

38590892

Analogs

38590895

Draw Identity 99% 90% 80% 70%

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

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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)	5.83	14.41	-10.86	0	4	0	51	447.893	3	↓ MOL2 SDF SMILES Flexibase

38590895

Analogs

38590892

Draw Identity 99% 90% 80% 70%

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

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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)	5.83	13.73	-10.05	0	4	0	51	447.893	3	↓ MOL2 SDF SMILES Flexibase

38590898

Analogs

38590901
38590881
38590883
38590886
38590889

Draw Identity 99% 90% 80% 70%

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

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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)	5.36	14.12	-10.97	0	4	0	51	431.438	3	↓ MOL2 SDF SMILES Flexibase

38590901

Analogs

38590881
38590883
38590886
38590889
38590898

Draw Identity 99% 90% 80% 70%

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

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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)	5.36	13.28	-10.54	0	4	0	51	431.438	3	↓ MOL2 SDF SMILES Flexibase

38591126

Analogs

38591129
38591132
38591135

Draw Identity 99% 90% 80% 70%

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

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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)	5.85	14.61	-9.57	0	4	0	51	474.354	3	↓ MOL2 SDF SMILES Flexibase

38591129

Analogs

38591132
38591135
38591126

Draw Identity 99% 90% 80% 70%

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

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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)	5.85	13.77	-8.9	0	4	0	51	474.354	3	↓ MOL2 SDF SMILES Flexibase

38591132

Analogs

38591135
38591126
38591129

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-bromophenyl)-6,8-dimethyl-2-(p-tolylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(4-bromophenyl)-6,8-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)	6.29	15.25	-9.48	0	4	0	51	488.381	3	↓ MOL2 SDF SMILES Flexibase

38591135

Analogs

38591126
38591129
38591132

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-bromophenyl)-6,8-dimethyl-2-(p-tolylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(4-bromophenyl)-6,8-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)	6.29	14.45	-9.32	0	4	0	51	488.381	3	↓ MOL2 SDF SMILES Flexibase

38591138

Analogs

38591141

Draw Identity 99% 90% 80% 70%

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

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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)	6.48	14.97	-10.3	0	4	0	51	508.799	3	↓ MOL2 SDF SMILES Flexibase

38591141

Analogs

38591138

Draw Identity 99% 90% 80% 70%

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

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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)	6.48	14.28	-9.51	0	4	0	51	508.799	3	↓ MOL2 SDF SMILES Flexibase

38591144

Analogs

38591147

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(4-bromophenyl)-2-[(4-flu…

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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)	6.01	14.68	-10.26	0	4	0	51	492.344	3	↓ MOL2 SDF SMILES Flexibase

38591147

Analogs

38591144

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(4-bromophenyl)-2-[(4-flu…

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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)	6.01	13.83	-9.89	0	4	0	51	492.344	3	↓ MOL2 SDF SMILES Flexibase

38591235

Analogs

38591238
38591241
38591244
38594090
38594091

Draw Identity 99% 90% 80% 70%

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

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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)	6.63	15.64	-11.21	0	6	0	69	511.618	9	↓ MOL2 SDF SMILES Flexibase

38591238

Analogs

38591241
38591244
38594090
38594091
38594370

Draw Identity 99% 90% 80% 70%

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

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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)	6.63	16.45	-12.14	0	6	0	69	511.618	9	↓ MOL2 SDF SMILES Flexibase

38591241

Analogs

38591244
38594090
38594091
38594370
40058522

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-methoxy-4-pentoxy-phenyl)-6,8-dimethyl-2-(p-tolylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dio (1R)-1-(3-methoxy-4-pentoxy-phen…

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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)	7.07	16.31	-11.2	0	6	0	69	525.645	9	↓ MOL2 SDF SMILES Flexibase

38591244

Analogs

38594090
38594091
38594370
40058522
40513278

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-methoxy-4-pentoxy-phenyl)-6,8-dimethyl-2-(p-tolylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dio (1S)-1-(3-methoxy-4-pentoxy-phen…

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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)	7.07	17.13	-12.22	0	6	0	69	525.645	9	↓ MOL2 SDF SMILES Flexibase

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