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ZINC Item

Suppliers, Protomers, & Similar Substances

5781431

Analogs

5781433
5782086
5782090

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-fluorophenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide 4-(3-fluorophenyl)-6-methyl-2-ox…

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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)	3.08	-2.29	-11.48	3	5	0	70	325.343	3	↓ MOL2 SDF SMILES Flexibase

5781433

Analogs

5782086
5782090
5781431

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-fluorophenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide 4-(3-fluorophenyl)-6-methyl-2-ox…

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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)	3.08	-2.01	-11.06	3	5	0	70	325.343	3	↓ MOL2 SDF SMILES Flexibase

5781438

Analogs

5781441
1190842

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-4-methyl-6-(3-nitrophenyl)-2-oxo-3,6-dihydro-1H-pyrimidine-5-carboxamide N-(3-chlorophenyl)-4-methyl-6-(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)	3.52	-2.67	-15.48	3	8	0	116	386.795	4	↓ MOL2 SDF SMILES Flexibase

5781441

Analogs

1190842

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-4-methyl-6-(3-nitrophenyl)-2-oxo-3,6-dihydro-1H-pyrimidine-5-carboxamide N-(3-chlorophenyl)-4-methyl-6-(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)	3.52	-2.21	-20.26	3	8	0	116	386.795	4	↓ MOL2 SDF SMILES Flexibase

5781452

Analogs

5781456

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,3-dichlorophenyl)-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide 4-(2,3-dichlorophenyl)-N-(4-meth…

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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	-2.94	-12.55	3	6	0	79	406.269	4	↓ MOL2 SDF SMILES Flexibase

5781456

Analogs

5781452

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,3-dichlorophenyl)-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide 4-(2,3-dichlorophenyl)-N-(4-meth…

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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	-3.09	-13.85	3	6	0	79	406.269	4	↓ MOL2 SDF SMILES Flexibase

5781468

Analogs

5781474

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,6-difluorophenyl)-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide 4-(2,6-difluorophenyl)-N-(4-meth…

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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)	3.22	-1.58	-14.48	3	6	0	79	373.359	4	↓ MOL2 SDF SMILES Flexibase

5781474

Analogs

5781468

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,6-difluorophenyl)-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide 4-(2,6-difluorophenyl)-N-(4-meth…

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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)	3.22	-1.26	-14.41	3	6	0	79	373.359	4	↓ MOL2 SDF SMILES Flexibase

13427084

Analogs

8934833
9137981

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-(2,4-dimethoxyphenyl)-4-methyl-2-oxo-6-(3,4,5-trimethoxyphenyl)-3,6-dihydro-1H-pyrimidine-5-c (6S)-N-(2,4-dimethoxyphenyl)-4-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.61	3.54	-15.44	3	10	0	116	457.483	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.24	2.16	-49.62	4	10	1	121	458.491	8	↓ MOL2 SDF SMILES Flexibase

1132315

Analogs

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Popular Name: (4R)-4-(4-iodophenyl)-2-keto-6-methyl-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide (4R)-4-(4-iodophenyl)-2-keto-6-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.02	7.06	-10.35	3	5	0	70	433.249	3	↓ MOL2 SDF SMILES Flexibase

1132318

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(4-iodophenyl)-2-keto-6-methyl-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide (4S)-4-(4-iodophenyl)-2-keto-6-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.02	6.88	-10.01	3	5	0	70	433.249	3	↓ MOL2 SDF SMILES Flexibase

14241584

Analogs

14241585

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-allyl-4-(2,4-difluorophenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydropyrimidine-5-carboxamide (4S)-1-allyl-4-(2,4-difluorophen…

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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)	4.63	9.09	-12.81	2	5	0	61	383.398	5	↓ MOL2 SDF SMILES Flexibase

14241585

Analogs

14241584

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-allyl-4-(2,4-difluorophenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydropyrimidine-5-carboxamide (4R)-1-allyl-4-(2,4-difluorophen…

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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)	4.63	8.82	-12.64	2	5	0	61	383.398	5	↓ MOL2 SDF SMILES Flexibase

14246089

Analogs

14246090

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(4R)-6-methyl-2-oxo-4-phenyl-5-(phenylcarbamoyl)-3,4-dihydropyrimidin-1-yl]hexanoic 6-[(4R)-6-methyl-2-oxo-4-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)	4.53	10.51	-54.33	2	7	-1	102	420.489	9	↓ MOL2 SDF SMILES Flexibase

14246090

Analogs

14246089

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(4S)-6-methyl-2-oxo-4-phenyl-5-(phenylcarbamoyl)-3,4-dihydropyrimidin-1-yl]hexanoic 6-[(4S)-6-methyl-2-oxo-4-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)	4.53	10.39	-55.47	2	7	-1	102	420.489	9	↓ MOL2 SDF SMILES Flexibase

4171428

Analogs

4171430
70614

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-methoxyphenyl)-6-methyl-2-oxo-N-(p-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide 4-(3-methoxyphenyl)-6-methyl-2-o…

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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)	3.42	5.94	-13.04	3	6	0	79	351.406	4	↓ MOL2 SDF SMILES Flexibase

4171430

Analogs

4171428

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-methoxyphenyl)-6-methyl-2-oxo-N-(p-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide 4-(3-methoxyphenyl)-6-methyl-2-o…

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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)	3.42	5.55	-12.84	3	6	0	79	351.406	4	↓ MOL2 SDF SMILES Flexibase

4171432

Analogs

862501

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-fluorophenyl)-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide 4-(4-fluorophenyl)-N-(2-methoxyp…

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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)	3.11	-2.09	-10.46	3	6	0	79	355.369	4	↓ MOL2 SDF SMILES Flexibase

4171434

Analogs

4171435
1248636

Draw Identity 99% 90% 80% 70%

Popular Name: N,4-bis(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide N,4-bis(2-methoxyphenyl)-6-methy…

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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)	2.95	-2.58	-11.71	3	7	0	88	367.405	5	↓ MOL2 SDF SMILES Flexibase

4171435

Analogs

1248636

Draw Identity 99% 90% 80% 70%

Popular Name: N,4-bis(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide N,4-bis(2-methoxyphenyl)-6-methy…

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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)	2.95	-2.18	-11.12	3	7	0	88	367.405	5	↓ MOL2 SDF SMILES Flexibase

4171437

Analogs

4171438
70808

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-isopropylphenyl)-6-methyl-N-(o-tolyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide 4-(4-isopropylphenyl)-6-methyl-N…

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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)	4.85	-1.43	-10.6	3	5	0	70	363.461	4	↓ MOL2 SDF SMILES Flexibase

4171438

Analogs

4171437
70808

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-isopropylphenyl)-6-methyl-N-(o-tolyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide 4-(4-isopropylphenyl)-6-methyl-N…

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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)	4.85	-1.55	-10.1	3	5	0	70	363.461	4	↓ MOL2 SDF SMILES Flexibase

4171439

Analogs

4171440
5785213
5785217
70837

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-isopropylphenyl)-6-methyl-2-oxo-N-(p-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide 4-(4-isopropylphenyl)-6-methyl-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)	4.90	-1.63	-10.44	3	5	0	70	363.461	4	↓ MOL2 SDF SMILES Flexibase

4171440

Analogs

5785213
5785217
4171439
70837

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-isopropylphenyl)-6-methyl-2-oxo-N-(p-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide 4-(4-isopropylphenyl)-6-methyl-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)	4.90	-2.07	-10.3	3	5	0	70	363.461	4	↓ MOL2 SDF SMILES Flexibase

4171446

Analogs

4171447

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide N-(3-chlorophenyl)-4-(2-fluoroph…

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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)	3.71	-2.51	-11.94	3	5	0	70	359.788	3	↓ MOL2 SDF SMILES Flexibase

4171447

Analogs

4171446

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide N-(3-chlorophenyl)-4-(2-fluoroph…

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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)	3.71	-2.31	-9.38	3	5	0	70	359.788	3	↓ MOL2 SDF SMILES Flexibase

4171448

Analogs

4171449

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide N-(4-chlorophenyl)-4-(2-fluoroph…

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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)	3.73	-2.38	-12.08	3	5	0	70	359.788	3	↓ MOL2 SDF SMILES Flexibase

4171449

Analogs

4171448

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide N-(4-chlorophenyl)-4-(2-fluoroph…

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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)	3.73	-1.96	-13.43	3	5	0	70	359.788	3	↓ MOL2 SDF SMILES Flexibase

4171456

Analogs

4171459
5873731
5873807
641226

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethoxyphenyl)-4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide N-(2-ethoxyphenyl)-4-(4-hydroxyp…

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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)	2.84	3.44	-11.52	4	7	0	100	367.405	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.47	1.44	-40.98	5	7	1	105	368.413	5	↓ MOL2 SDF SMILES Flexibase

4171459

Analogs

5873731
5873807
641226

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethoxyphenyl)-4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide N-(2-ethoxyphenyl)-4-(4-hydroxyp…

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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)	2.84	2.98	-11.83	4	7	0	100	367.405	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.47	1.37	-41.84	5	7	1	105	368.413	5	↓ MOL2 SDF SMILES Flexibase

4171471

Analogs

4171473
629364

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide N-(3-chlorophenyl)-4-(4-hydroxyp…

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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)	3.11	-5.1	-12.58	4	6	0	90	357.797	3	↓ MOL2 SDF SMILES Flexibase

4171473

Analogs

629364

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Popular Name: N-(3-chlorophenyl)-4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide N-(3-chlorophenyl)-4-(4-hydroxyp…

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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)	3.11	-4.68	-15.04	4	6	0	90	357.797	3	↓ MOL2 SDF SMILES Flexibase

4171476

Analogs

5482456
5482505
1190145

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Popular Name: N-(3-chlorophenyl)-4-methyl-2-oxo-6-(p-tolyl)-3,6-dihydro-1H-pyrimidine-5-carboxamide N-(3-chlorophenyl)-4-methyl-2-ox…

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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)	4.04	-2.81	-11.64	3	5	0	70	355.825	3	↓ MOL2 SDF SMILES Flexibase

5197942

Analogs

5197945
16606775
862469

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide 4-(2,5-dimethoxyphenyl)-N-(2-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)	2.99	-2.6	-12.77	3	8	0	97	397.431	6	↓ MOL2 SDF SMILES Flexibase

5197945

Analogs

16606775
5197942
862469

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide 4-(2,5-dimethoxyphenyl)-N-(2-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)	2.99	-2.66	-12.32	3	8	0	97	397.431	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 2960
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 = 2960 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=2960&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": "2960"        

    });
</script>

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