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40344861

Analogs

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Popular Name: (4S)-4-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyr (4S)-4-(2,4-dichlorophenyl)-3-(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)	4.72	9.16	-10.36	1	6	0	67	458.345	5	↓ MOL2 SDF SMILES Flexibase

40344810

Analogs

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Popular Name: (4S)-4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo (4S)-4-(4-chlorophenyl)-3-(4-met…

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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)	4.12	9.43	-13.54	1	6	0	67	423.9	5	↓ MOL2 SDF SMILES Flexibase

40344809

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo (4R)-4-(4-chlorophenyl)-3-(4-met…

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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)	4.12	9.41	-12.45	1	6	0	67	423.9	5	↓ MOL2 SDF SMILES Flexibase

40344860

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-5-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyr (4R)-4-(2,4-dichlorophenyl)-3-(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)	4.72	9.62	-8.04	1	6	0	67	458.345	5	↓ MOL2 SDF SMILES Flexibase

40344756

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(3-chlorophenyl)-3-(4-methoxyphenyl)-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo (4S)-4-(3-chlorophenyl)-3-(4-met…

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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)	4.10	9.42	-11.94	1	6	0	67	423.9	5	↓ MOL2 SDF SMILES Flexibase

40344755

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-chlorophenyl)-3-(4-methoxyphenyl)-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo (4R)-4-(3-chlorophenyl)-3-(4-met…

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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)	4.10	9.41	-11.45	1	6	0	67	423.9	5	↓ MOL2 SDF SMILES Flexibase

40344754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(3-chlorophenyl)-3-(4-methoxyphenyl)-5-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo (4S)-4-(3-chlorophenyl)-3-(4-met…

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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)	4.10	9.63	-11.79	1	6	0	67	423.9	5	↓ MOL2 SDF SMILES Flexibase

40344753

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-chlorophenyl)-3-(4-methoxyphenyl)-5-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo (4R)-4-(3-chlorophenyl)-3-(4-met…

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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)	4.10	9.4	-9.12	1	6	0	67	423.9	5	↓ MOL2 SDF SMILES Flexibase

40344808

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo (4S)-4-(4-chlorophenyl)-3-(4-met…

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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)	4.12	9.64	-13.14	1	6	0	67	423.9	5	↓ MOL2 SDF SMILES Flexibase

40344807

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo (4R)-4-(4-chlorophenyl)-3-(4-met…

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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)	4.12	9.4	-9.51	1	6	0	67	423.9	5	↓ MOL2 SDF SMILES Flexibase

40344702

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-chlorophenyl)-3-(4-methoxyphenyl)-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo (4R)-4-(2-chlorophenyl)-3-(4-met…

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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)	4.07	8.6	-11.36	1	6	0	67	423.9	5	↓ MOL2 SDF SMILES Flexibase

40344701

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(2-chlorophenyl)-3-(4-methoxyphenyl)-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo (4S)-4-(2-chlorophenyl)-3-(4-met…

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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)	4.07	8.64	-11.31	1	6	0	67	423.9	5	↓ MOL2 SDF SMILES Flexibase

40344700

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-chlorophenyl)-3-(4-methoxyphenyl)-5-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo (4R)-4-(2-chlorophenyl)-3-(4-met…

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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)	4.07	9.1	-8.8	1	6	0	67	423.9	5	↓ MOL2 SDF SMILES Flexibase

40344699

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(2-chlorophenyl)-3-(4-methoxyphenyl)-5-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo (4S)-4-(2-chlorophenyl)-3-(4-met…

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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)	4.07	9.38	-9.55	1	6	0	67	423.9	5	↓ MOL2 SDF SMILES Flexibase

40344859

Analogs

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Popular Name: (4S)-4-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-5-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyr (4S)-4-(2,4-dichlorophenyl)-3-(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)	4.72	9.89	-8.51	1	6	0	67	458.345	5	↓ MOL2 SDF SMILES Flexibase

40344650

Analogs

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Popular Name: (4S)-4-(3-ethoxy-4-hydroxy-phenyl)-3-(4-methoxyphenyl)-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dih (4S)-4-(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)	3.16	7.31	-12.42	2	8	0	97	449.507	7	↓ MOL2 SDF SMILES Flexibase

40344649

Analogs

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Popular Name: (4R)-4-(3-ethoxy-4-hydroxy-phenyl)-3-(4-methoxyphenyl)-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dih (4R)-4-(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)	3.16	6.75	-13.98	2	8	0	97	449.507	7	↓ MOL2 SDF SMILES Flexibase

40344648

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(3-ethoxy-4-hydroxy-phenyl)-3-(4-methoxyphenyl)-5-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dih (4S)-4-(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)	3.16	7.26	-15.66	2	8	0	97	449.507	7	↓ MOL2 SDF SMILES Flexibase

40344647

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-ethoxy-4-hydroxy-phenyl)-3-(4-methoxyphenyl)-5-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dih (4R)-4-(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)	3.16	6.48	-13.44	2	8	0	97	449.507	7	↓ MOL2 SDF SMILES Flexibase

40344596

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(3-ethoxyphenyl)-3-(4-methoxyphenyl)-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo (4S)-4-(3-ethoxyphenyl)-3-(4-met…

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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	9.49	-10.23	1	7	0	77	433.508	7	↓ MOL2 SDF SMILES Flexibase

40344595

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-ethoxyphenyl)-3-(4-methoxyphenyl)-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo (4R)-4-(3-ethoxyphenyl)-3-(4-met…

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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	8.92	-12.15	1	7	0	77	433.508	7	↓ MOL2 SDF SMILES Flexibase

40344594

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(3-ethoxyphenyl)-3-(4-methoxyphenyl)-5-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo (4S)-4-(3-ethoxyphenyl)-3-(4-met…

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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	9.43	-12.61	1	7	0	77	433.508	7	↓ MOL2 SDF SMILES Flexibase

40344593

Analogs

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Popular Name: (4R)-4-(3-ethoxyphenyl)-3-(4-methoxyphenyl)-5-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo (4R)-4-(3-ethoxyphenyl)-3-(4-met…

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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	8.71	-11.8	1	7	0	77	433.508	7	↓ MOL2 SDF SMILES Flexibase

40344490

Analogs

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Popular Name: (4S)-4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo (4S)-4-(4-ethoxyphenyl)-3-(4-met…

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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)	3.87	9.49	-10.96	1	7	0	77	433.508	7	↓ MOL2 SDF SMILES Flexibase

40344489

Analogs

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Popular Name: (4R)-4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo (4R)-4-(4-ethoxyphenyl)-3-(4-met…

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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)	3.87	8.92	-13.77	1	7	0	77	433.508	7	↓ MOL2 SDF SMILES Flexibase

40344488

Analogs

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Popular Name: (4S)-4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-5-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo (4S)-4-(4-ethoxyphenyl)-3-(4-met…

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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)	3.87	9.44	-14.4	1	7	0	77	433.508	7	↓ MOL2 SDF SMILES Flexibase

40344487

Analogs

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Popular Name: (4R)-4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-5-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo (4R)-4-(4-ethoxyphenyl)-3-(4-met…

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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)	3.87	8.71	-13.75	1	7	0	77	433.508	7	↓ MOL2 SDF SMILES Flexibase

40344862

Analogs

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Popular Name: (4R)-4-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyr (4R)-4-(2,4-dichlorophenyl)-3-(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)	4.72	9.11	-10.36	1	6	0	67	458.345	5	↓ MOL2 SDF SMILES Flexibase

40336435

Analogs

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Popular Name: (4R)-4-(4-nitrophenyl)-3-phenyl-5-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo[3,4-c]pyraz (4R)-4-(4-nitrophenyl)-3-phenyl-…

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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)	3.34	10.3	-12	1	8	0	104	404.426	5	↓ MOL2 SDF SMILES Flexibase

40336437

Analogs

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Popular Name: (4S)-4-(4-nitrophenyl)-3-phenyl-5-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo[3,4-c]pyraz (4S)-4-(4-nitrophenyl)-3-phenyl-…

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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)	3.34	10.54	-16.8	1	8	0	104	404.426	5	↓ MOL2 SDF SMILES Flexibase

40336439

Analogs

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Popular Name: (4R)-4-(4-nitrophenyl)-3-phenyl-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo[3,4-c]pyraz (4R)-4-(4-nitrophenyl)-3-phenyl-…

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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)	3.34	10.3	-15.59	1	8	0	104	404.426	5	↓ MOL2 SDF SMILES Flexibase

40336441

Analogs

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Popular Name: (4S)-4-(4-nitrophenyl)-3-phenyl-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo[3,4-c]pyraz (4S)-4-(4-nitrophenyl)-3-phenyl-…

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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)	3.34	10.33	-17.33	1	8	0	104	404.426	5	↓ MOL2 SDF SMILES Flexibase

40336539

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Popular Name: (4R)-4-(3-nitrophenyl)-3-phenyl-5-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo[3,4-c]pyraz (4R)-4-(3-nitrophenyl)-3-phenyl-…

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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)	3.32	10.3	-10.82	1	8	0	104	404.426	5	↓ MOL2 SDF SMILES Flexibase

40336541

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Popular Name: (4S)-4-(3-nitrophenyl)-3-phenyl-5-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo[3,4-c]pyraz (4S)-4-(3-nitrophenyl)-3-phenyl-…

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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)	3.32	10.53	-13.41	1	8	0	104	404.426	5	↓ MOL2 SDF SMILES Flexibase

40336543

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Popular Name: (4R)-4-(3-nitrophenyl)-3-phenyl-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo[3,4-c]pyraz (4R)-4-(3-nitrophenyl)-3-phenyl-…

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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)	3.32	10.3	-13.01	1	8	0	104	404.426	5	↓ MOL2 SDF SMILES Flexibase

40336545

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Popular Name: (4S)-4-(3-nitrophenyl)-3-phenyl-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo[3,4-c]pyraz (4S)-4-(3-nitrophenyl)-3-phenyl-…

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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)	3.32	10.31	-13.03	1	8	0	104	404.426	5	↓ MOL2 SDF SMILES Flexibase

40336641

Analogs

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Popular Name: (4R)-4-(4-hydroxyphenyl)-3-phenyl-5-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo[3,4-c]pyr (4R)-4-(4-hydroxyphenyl)-3-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)	2.91	6.73	-11.08	2	6	0	78	375.428	4	↓ MOL2 SDF SMILES Flexibase

40336643

Analogs

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Popular Name: (4S)-4-(4-hydroxyphenyl)-3-phenyl-5-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo[3,4-c]pyr (4S)-4-(4-hydroxyphenyl)-3-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)	2.91	6.97	-14.07	2	6	0	78	375.428	4	↓ MOL2 SDF SMILES Flexibase

40336645

Analogs

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Popular Name: (4R)-4-(4-hydroxyphenyl)-3-phenyl-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo[3,4-c]pyr (4R)-4-(4-hydroxyphenyl)-3-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)	2.91	6.74	-13.97	2	6	0	78	375.428	4	↓ MOL2 SDF SMILES Flexibase

40336646

Analogs

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Popular Name: (4S)-4-(4-hydroxyphenyl)-3-phenyl-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo[3,4-c]pyr (4S)-4-(4-hydroxyphenyl)-3-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)	2.91	6.76	-14.36	2	6	0	78	375.428	4	↓ MOL2 SDF SMILES Flexibase

40336741

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Popular Name: (4R)-4-(4-ethylphenyl)-3-phenyl-5-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo[3,4-c]pyraz (4R)-4-(4-ethylphenyl)-3-phenyl-…

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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	10.63	-12.04	1	5	0	58	387.483	5	↓ MOL2 SDF SMILES Flexibase

40336743

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Popular Name: (4S)-4-(4-ethylphenyl)-3-phenyl-5-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo[3,4-c]pyraz (4S)-4-(4-ethylphenyl)-3-phenyl-…

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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	11.35	-12.48	1	5	0	58	387.483	5	↓ MOL2 SDF SMILES Flexibase

40336745

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Popular Name: (4R)-4-(4-ethylphenyl)-3-phenyl-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo[3,4-c]pyraz (4R)-4-(4-ethylphenyl)-3-phenyl-…

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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	10.84	-12.18	1	5	0	58	387.483	5	↓ MOL2 SDF SMILES Flexibase

40336747

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Popular Name: (4S)-4-(4-ethylphenyl)-3-phenyl-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo[3,4-c]pyraz (4S)-4-(4-ethylphenyl)-3-phenyl-…

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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	11.4	-9.34	1	5	0	58	387.483	5	↓ MOL2 SDF SMILES Flexibase

40336844

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Popular Name: (4R)-4-(4-isopropylphenyl)-3-phenyl-5-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo[3,4-c]p (4R)-4-(4-isopropylphenyl)-3-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)	4.90	11.11	-12	1	5	0	58	401.51	5	↓ MOL2 SDF SMILES Flexibase

40336846

Analogs

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Popular Name: (4S)-4-(4-isopropylphenyl)-3-phenyl-5-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo[3,4-c]p (4S)-4-(4-isopropylphenyl)-3-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)	4.90	11.83	-12.39	1	5	0	58	401.51	5	↓ MOL2 SDF SMILES Flexibase

40336848

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Popular Name: (4R)-4-(4-isopropylphenyl)-3-phenyl-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo[3,4-c]p (4R)-4-(4-isopropylphenyl)-3-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)	4.90	11.32	-12.13	1	5	0	58	401.51	5	↓ MOL2 SDF SMILES Flexibase

40336850

Analogs

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Popular Name: (4S)-4-(4-isopropylphenyl)-3-phenyl-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo[3,4-c]p (4S)-4-(4-isopropylphenyl)-3-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)	4.90	11.89	-9.19	1	5	0	58	401.51	5	↓ MOL2 SDF SMILES Flexibase

40336946

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Popular Name: (4R)-4-(4-methoxyphenyl)-3-phenyl-5-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo[3,4-c]pyr (4R)-4-(4-methoxyphenyl)-3-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)	3.44	8.49	-13.79	1	6	0	67	389.455	5	↓ MOL2 SDF SMILES Flexibase

40336948

Analogs

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Popular Name: (4S)-4-(4-methoxyphenyl)-3-phenyl-5-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyrrolo[3,4-c]pyr (4S)-4-(4-methoxyphenyl)-3-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)	3.44	9.21	-14.28	1	6	0	67	389.455	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 17935
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 = 17935 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=17935&filter.purchasability=annotated

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<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', {
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