ZINC 12

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ZINC Item

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13268429

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4S)-4-(2-chlorophenyl)-6-methyl-2-oxo-5-(phenylcarbamoyl)-3,4-dihydropyrimidin-1-yl]benzoic 4-[(4S)-4-(2-chlorophenyl)-6-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)	5.42	10.74	-54.05	2	7	-1	102	460.897	5	↓ MOL2 SDF SMILES Flexibase

13268430

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4R)-4-(2-chlorophenyl)-6-methyl-2-oxo-5-(phenylcarbamoyl)-3,4-dihydropyrimidin-1-yl]benzoic 4-[(4R)-4-(2-chlorophenyl)-6-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)	5.42	10.64	-53.85	2	7	-1	102	460.897	5	↓ MOL2 SDF SMILES Flexibase

13268435

Analogs

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Popular Name: 4-[(4R)-6-methyl-4-(4-nitrophenyl)-2-oxo-5-(phenylcarbamoyl)-3,4-dihydropyrimidin-1-yl]benzoic 4-[(4R)-6-methyl-4-(4-nitropheny…

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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)	4.75	11.06	-55.42	2	10	-1	147	471.449	6	↓ MOL2 SDF SMILES Flexibase

13268436

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4S)-6-methyl-4-(4-nitrophenyl)-2-oxo-5-(phenylcarbamoyl)-3,4-dihydropyrimidin-1-yl]benzoic 4-[(4S)-6-methyl-4-(4-nitropheny…

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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)	4.75	10.85	-56.68	2	10	-1	147	471.449	6	↓ MOL2 SDF SMILES Flexibase

13268445

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-5-(phenylcarbamoyl)-3,4-dihydropyrimidin-1-yl]benzoic 4-[(4R)-4-(4-chlorophenyl)-6-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)	5.47	10.77	-53.01	2	7	-1	102	460.897	5	↓ MOL2 SDF SMILES Flexibase

13268446

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4S)-4-(4-chlorophenyl)-6-methyl-2-oxo-5-(phenylcarbamoyl)-3,4-dihydropyrimidin-1-yl]benzoic 4-[(4S)-4-(4-chlorophenyl)-6-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)	5.47	10.91	-52.76	2	7	-1	102	460.897	5	↓ MOL2 SDF SMILES Flexibase

13268451

Analogs

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Popular Name: 4-[(4R)-4-(4-fluorophenyl)-6-methyl-2-oxo-5-(phenylcarbamoyl)-3,4-dihydropyrimidin-1-yl]benzoic 4-[(4R)-4-(4-fluorophenyl)-6-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)	4.95	10.32	-53.43	2	7	-1	102	444.442	5	↓ MOL2 SDF SMILES Flexibase

13268452

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4S)-4-(4-fluorophenyl)-6-methyl-2-oxo-5-(phenylcarbamoyl)-3,4-dihydropyrimidin-1-yl]benzoic 4-[(4S)-4-(4-fluorophenyl)-6-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)	4.95	10.47	-53.24	2	7	-1	102	444.442	5	↓ MOL2 SDF SMILES Flexibase

13268453

Analogs

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Popular Name: 4-[(4R)-5-[(4-chlorophenyl)carbamoyl]-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyrimidin-1-yl]be 4-[(4R)-5-[(4-chlorophenyl)carba…

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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)	5.63	11.02	-53.38	2	7	-1	102	478.887	5	↓ MOL2 SDF SMILES Flexibase

13268454

Analogs

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Popular Name: 4-[(4S)-5-[(4-chlorophenyl)carbamoyl]-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyrimidin-1-yl]be 4-[(4S)-5-[(4-chlorophenyl)carba…

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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)	5.63	10.92	-53.03	2	7	-1	102	478.887	5	↓ MOL2 SDF SMILES Flexibase

13268455

Analogs

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Popular Name: 4-[(4R)-5-[(3,4-difluorophenyl)carbamoyl]-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyrimidin-1-y 4-[(4R)-5-[(3,4-difluorophenyl)c…

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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	10.68	-54.5	2	7	-1	102	480.422	5	↓ MOL2 SDF SMILES Flexibase

13268456

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4S)-5-[(3,4-difluorophenyl)carbamoyl]-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyrimidin-1-y 4-[(4S)-5-[(3,4-difluorophenyl)c…

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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	10.59	-55.5	2	7	-1	102	480.422	5	↓ MOL2 SDF SMILES Flexibase

13268461

Analogs

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Popular Name: 4-[(4R)-4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-5-(phenylcarbamoyl)-3,4-dihydropyrimidin-1-yl]b 4-[(4R)-4-[2-(difluoromethoxy)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)	5.36	9.77	-55.34	2	8	-1	111	492.458	7	↓ MOL2 SDF SMILES Flexibase

13268462

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4S)-4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-5-(phenylcarbamoyl)-3,4-dihydropyrimidin-1-yl]b 4-[(4S)-4-[2-(difluoromethoxy)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)	5.36	9.76	-54.98	2	8	-1	111	492.458	7	↓ MOL2 SDF SMILES Flexibase

13268475

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4S)-4-(2,4-difluorophenyl)-6-methyl-2-oxo-5-(phenylcarbamoyl)-3,4-dihydropyrimidin-1-yl]benzoic 4-[(4S)-4-(2,4-difluorophenyl)-6…

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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	10.68	-53.54	2	7	-1	102	462.432	5	↓ MOL2 SDF SMILES Flexibase

13268476

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4R)-4-(2,4-difluorophenyl)-6-methyl-2-oxo-5-(phenylcarbamoyl)-3,4-dihydropyrimidin-1-yl]benzoic 4-[(4R)-4-(2,4-difluorophenyl)-6…

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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	10.45	-53.65	2	7	-1	102	462.432	5	↓ MOL2 SDF SMILES Flexibase

13268479

Analogs

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Popular Name: 4-[(4S)-4-(2,4-difluorophenyl)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydropyrimidin 4-[(4S)-4-(2,4-difluorophenyl)-5…

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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)	5.30	11.09	-56.56	2	7	-1	102	498.412	5	↓ MOL2 SDF SMILES Flexibase

13268480

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4R)-4-(2,4-difluorophenyl)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydropyrimidin 4-[(4R)-4-(2,4-difluorophenyl)-5…

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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)	5.30	10.68	-53.24	2	7	-1	102	498.412	5	↓ MOL2 SDF SMILES Flexibase

13268495

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4R)-6-methyl-2-oxo-5-(phenylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrimidin-1-yl]b 4-[(4R)-6-methyl-2-oxo-5-(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)	5.66	11.29	-53.9	2	7	-1	102	494.449	6	↓ MOL2 SDF SMILES Flexibase

13268496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4S)-6-methyl-2-oxo-5-(phenylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrimidin-1-yl]b 4-[(4S)-6-methyl-2-oxo-5-(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)	5.66	11.12	-54.07	2	7	-1	102	494.449	6	↓ MOL2 SDF SMILES Flexibase

13268503

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4S)-4-(2-fluorophenyl)-6-methyl-2-oxo-5-(phenylcarbamoyl)-3,4-dihydropyrimidin-1-yl]benzoic 4-[(4S)-4-(2-fluorophenyl)-6-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)	4.91	10.48	-55.38	2	7	-1	102	444.442	5	↓ MOL2 SDF SMILES Flexibase

13268504

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4R)-4-(2-fluorophenyl)-6-methyl-2-oxo-5-(phenylcarbamoyl)-3,4-dihydropyrimidin-1-yl]benzoic 4-[(4R)-4-(2-fluorophenyl)-6-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)	4.91	10.15	-53.45	2	7	-1	102	444.442	5	↓ MOL2 SDF SMILES Flexibase

13268507

Analogs

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Popular Name: 4-[(4S)-5-[(4-chlorophenyl)carbamoyl]-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyrimidin-1-yl]be 4-[(4S)-5-[(4-chlorophenyl)carba…

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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)	5.58	11	-54.68	2	7	-1	102	478.887	5	↓ MOL2 SDF SMILES Flexibase

13268508

Analogs

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Popular Name: 4-[(4R)-5-[(4-chlorophenyl)carbamoyl]-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyrimidin-1-yl]be 4-[(4R)-5-[(4-chlorophenyl)carba…

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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)	5.58	10.9	-53.78	2	7	-1	102	478.887	5	↓ MOL2 SDF SMILES Flexibase

13268509

Analogs

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Popular Name: 4-[(4S)-5-[(3,4-difluorophenyl)carbamoyl]-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyrimidin-1-y 4-[(4S)-5-[(3,4-difluorophenyl)c…

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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)	5.16	10.59	-54.05	2	7	-1	102	480.422	5	↓ MOL2 SDF SMILES Flexibase

13268510

Analogs

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Popular Name: 4-[(4R)-5-[(3,4-difluorophenyl)carbamoyl]-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyrimidin-1-y 4-[(4R)-5-[(3,4-difluorophenyl)c…

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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)	5.16	10.49	-56.9	2	7	-1	102	480.422	5	↓ MOL2 SDF SMILES Flexibase

13268511

Analogs

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Popular Name: 4-[(4R)-4-(3-fluorophenyl)-6-methyl-2-oxo-5-(phenylcarbamoyl)-3,4-dihydropyrimidin-1-yl]benzoic 4-[(4R)-4-(3-fluorophenyl)-6-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)	4.93	10.35	-53.68	2	7	-1	102	444.442	5	↓ MOL2 SDF SMILES Flexibase

13268512

Analogs

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Popular Name: 4-[(4S)-4-(3-fluorophenyl)-6-methyl-2-oxo-5-(phenylcarbamoyl)-3,4-dihydropyrimidin-1-yl]benzoic 4-[(4S)-4-(3-fluorophenyl)-6-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)	4.93	10.14	-54.45	2	7	-1	102	444.442	5	↓ MOL2 SDF SMILES Flexibase

13268515

Analogs

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Popular Name: 4-[(4R)-5-[(4-chlorophenyl)carbamoyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyrimidin-1-yl]be 4-[(4R)-5-[(4-chlorophenyl)carba…

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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)	5.61	10.88	-53.98	2	7	-1	102	478.887	5	↓ MOL2 SDF SMILES Flexibase

13268516

Analogs

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Popular Name: 4-[(4S)-5-[(4-chlorophenyl)carbamoyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyrimidin-1-yl]be 4-[(4S)-5-[(4-chlorophenyl)carba…

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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)	5.61	10.66	-53.88	2	7	-1	102	478.887	5	↓ MOL2 SDF SMILES Flexibase

13268517

Analogs

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Popular Name: 4-[(4R)-5-[(3,4-difluorophenyl)carbamoyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyrimidin-1-y 4-[(4R)-5-[(3,4-difluorophenyl)c…

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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)	5.18	10.65	-56.92	2	7	-1	102	480.422	5	↓ MOL2 SDF SMILES Flexibase

13268518

Analogs

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Popular Name: 4-[(4S)-5-[(3,4-difluorophenyl)carbamoyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyrimidin-1-y 4-[(4S)-5-[(3,4-difluorophenyl)c…

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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)	5.18	10.49	-55.26	2	7	-1	102	480.422	5	↓ MOL2 SDF SMILES Flexibase

13268533

Analogs

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Popular Name: 4-[(4S)-4-(2,6-difluorophenyl)-6-methyl-2-oxo-5-(phenylcarbamoyl)-3,4-dihydropyrimidin-1-yl]benzoic 4-[(4S)-4-(2,6-difluorophenyl)-6…

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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)	5.02	10.23	-56.59	2	7	-1	102	462.432	5	↓ MOL2 SDF SMILES Flexibase

13268534

Analogs

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Popular Name: 4-[(4R)-4-(2,6-difluorophenyl)-6-methyl-2-oxo-5-(phenylcarbamoyl)-3,4-dihydropyrimidin-1-yl]benzoic 4-[(4R)-4-(2,6-difluorophenyl)-6…

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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)	5.02	10.32	-56.18	2	7	-1	102	462.432	5	↓ MOL2 SDF SMILES Flexibase

13268537

Analogs

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Popular Name: 4-[(4S)-4-(2,6-difluorophenyl)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydropyrimidin 4-[(4S)-4-(2,6-difluorophenyl)-5…

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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)	5.28	10.4	-60.29	2	7	-1	102	498.412	5	↓ MOL2 SDF SMILES Flexibase

13268538

Analogs

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Popular Name: 4-[(4R)-4-(2,6-difluorophenyl)-5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydropyrimidin 4-[(4R)-4-(2,6-difluorophenyl)-5…

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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)	5.28	10.13	-55.22	2	7	-1	102	498.412	5	↓ MOL2 SDF SMILES Flexibase

13268549

Analogs

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Popular Name: 4-[(4S)-4-(4-methoxycarbonylphenyl)-6-methyl-2-oxo-5-(phenylcarbamoyl)-3,4-dihydropyrimidin-1-yl]ben 4-[(4S)-4-(4-methoxycarbonylphen…

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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)	4.96	10.88	-55.85	2	9	-1	128	484.488	7	↓ MOL2 SDF SMILES Flexibase

13268550

Analogs

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Popular Name: 4-[(4R)-4-(4-methoxycarbonylphenyl)-6-methyl-2-oxo-5-(phenylcarbamoyl)-3,4-dihydropyrimidin-1-yl]ben 4-[(4R)-4-(4-methoxycarbonylphen…

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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)	4.96	11.06	-55.62	2	9	-1	128	484.488	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 125062
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 = 125062 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=125062&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": "125062"        

    });
</script>

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