ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

11990355

Analogs

1290908
1290910

Draw Identity 99% 90% 80% 70%

Popular Name: 3-acetonyl-5-methyl-N-(o-tolyl)-4-oxo-thieno[5,4-d]pyrimidine-6-carboxamide 3-acetonyl-5-methyl-N-(o-tolyl)-…

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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)	2.26	0.47	-20.95	1	6	0	81	355.419	4	↓ MOL2 SDF SMILES Flexibase

11990356

Analogs

1290908

Draw Identity 99% 90% 80% 70%

Popular Name: 3-acetonyl-5-methyl-4-oxo-N-phenyl-thieno[5,4-d]pyrimidine-6-carboxamide 3-acetonyl-5-methyl-4-oxo-N-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)	1.86	-0.09	-21.15	1	6	0	81	341.392	4	↓ MOL2 SDF SMILES Flexibase

11990434

Analogs

11990435

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-2,3-dihydroxypropyl]-5-methyl-4-oxo-N-phenyl-thieno[5,4-d]pyrimidine-6-carboxamide 3-[(2R)-2,3-dihydroxypropyl]-5-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)	1.04	-5.98	-22.61	3	7	0	104	359.407	5	↓ MOL2 SDF SMILES Flexibase

11990435

Analogs

11990434

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2,3-dihydroxypropyl]-5-methyl-4-oxo-N-phenyl-thieno[5,4-d]pyrimidine-6-carboxamide 3-[(2S)-2,3-dihydroxypropyl]-5-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)	1.04	-5.5	-21.07	3	7	0	104	359.407	5	↓ MOL2 SDF SMILES Flexibase

11990436

Analogs

11990437

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-2,3-dihydroxypropyl]-5-methyl-N-(o-tolyl)-4-oxo-thieno[5,4-d]pyrimidine-6-carboxamide 3-[(2R)-2,3-dihydroxypropyl]-5-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)	1.44	-5.03	-21.22	3	7	0	104	373.434	5	↓ MOL2 SDF SMILES Flexibase

11990437

Analogs

11990436

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2,3-dihydroxypropyl]-5-methyl-N-(o-tolyl)-4-oxo-thieno[5,4-d]pyrimidine-6-carboxamide 3-[(2S)-2,3-dihydroxypropyl]-5-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)	1.44	-4.93	-21	3	7	0	104	373.434	5	↓ MOL2 SDF SMILES Flexibase

11990438

Analogs

11990439

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-2,3-dihydroxypropyl]-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxa 3-[(2R)-2,3-dihydroxypropyl]-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)	1.87	-5.08	-22.71	3	7	0	104	387.461	5	↓ MOL2 SDF SMILES Flexibase

11990439

Analogs

11990438

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2,3-dihydroxypropyl]-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxa 3-[(2S)-2,3-dihydroxypropyl]-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)	1.87	-4.6	-21.07	3	7	0	104	387.461	5	↓ MOL2 SDF SMILES Flexibase

11990474

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(2-methoxyethylamino)-2-oxo-ethyl]-5-methyl-4-oxo-N-phenyl-thieno[5,4-d]pyrimidine-6-carboxamid 3-[2-(2-methoxyethylamino)-2-oxo…

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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)	1.41	-3.09	-24.78	2	8	0	102	400.46	7	↓ MOL2 SDF SMILES Flexibase

11990478

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(2-methoxyethylamino)-2-oxo-ethyl]-5-methyl-N-(o-tolyl)-4-oxo-thieno[5,4-d]pyrimidine-6-carboxa 3-[2-(2-methoxyethylamino)-2-oxo…

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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)	1.81	-2.54	-24.61	2	8	0	102	414.487	7	↓ MOL2 SDF SMILES Flexibase

1784723

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-[(2,4-dimethylphenyl)carbamoyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidin-3-yl]acetic-acid-butyl-e 2-[6-[(2,4-dimethylphenyl)carbam…

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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)	4.44	1.71	-20.76	1	7	0	90	427.526	8	↓ MOL2 SDF SMILES Flexibase

1784724

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-[(2,4-dimethylphenyl)carbamoyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidin-3-yl]acetic-acid-propyl- 2-[6-[(2,4-dimethylphenyl)carbam…

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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)	3.88	1.59	-20.84	1	7	0	90	413.499	7	↓ MOL2 SDF SMILES Flexibase

1784725

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[6-[(2,4-dimethylphenyl)carbamoyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidin-3-yl]propionic-acid (2R)-2-[6-[(2,4-dimethylphenyl)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)	4.81	1.36	-14.21	1	7	0	90	441.553	8	↓ MOL2 SDF SMILES Flexibase

1784726

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[6-[(2,4-dimethylphenyl)carbamoyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidin-3-yl]propionic-acid (2S)-2-[6-[(2,4-dimethylphenyl)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)	4.81	1.36	-14.13	1	7	0	90	441.553	8	↓ MOL2 SDF SMILES Flexibase

1784727

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-{[(2,4-dimethylphenyl)amino]carbonyl}-5-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]propanoic acid 2-[6-{[(2,4-dimethylphenyl)amino…

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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)	2.75	-0.31	-46.67	1	7	-1	104	384.437	4	↓ MOL2 SDF SMILES Flexibase

1784728

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-{[(2,4-dimethylphenyl)amino]carbonyl}-5-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]propanoic acid 2-[6-{[(2,4-dimethylphenyl)amino…

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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)	2.75	-0.31	-46.84	1	7	-1	104	384.437	4	↓ MOL2 SDF SMILES Flexibase

1784729

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[6-[(2,4-dimethylphenyl)carbamoyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidin-3-yl]butyrate (2S)-2-[6-[(2,4-dimethylphenyl)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)	3.25	0.18	-46.74	1	7	-1	104	398.464	5	↓ MOL2 SDF SMILES Flexibase

1784730

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[6-[(2,4-dimethylphenyl)carbamoyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidin-3-yl]butyrate (2R)-2-[6-[(2,4-dimethylphenyl)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)	3.25	0.18	-46.86	1	7	-1	104	398.464	5	↓ MOL2 SDF SMILES Flexibase

1784731

Analogs

4367803

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[6-[(2,4-dimethylphenyl)carbamoyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidin-3-yl]propionic-acid (2R)-2-[6-[(2,4-dimethylphenyl)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)	4.25	1.24	-14.29	1	7	0	90	427.526	7	↓ MOL2 SDF SMILES Flexibase

1784732

Analogs

4367803

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[6-[(2,4-dimethylphenyl)carbamoyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidin-3-yl]propionic-acid (2S)-2-[6-[(2,4-dimethylphenyl)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)	4.25	1.24	-14.25	1	7	0	90	427.526	7	↓ MOL2 SDF SMILES Flexibase

1784734

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[6-[(2,4-dimethylphenyl)carbamoyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidin-3-yl]propionic-acid (2R)-2-[6-[(2,4-dimethylphenyl)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)	5.31	1.49	-14.21	1	7	0	90	455.58	9	↓ MOL2 SDF SMILES Flexibase

1784735

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[6-[(2,4-dimethylphenyl)carbamoyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidin-3-yl]propionic-acid (2S)-2-[6-[(2,4-dimethylphenyl)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)	5.31	1.49	-14.16	1	7	0	90	455.58	9	↓ MOL2 SDF SMILES Flexibase

1784737

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-keto-5-methyl-6-(o-tolylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]acetic-acid-butyl-ester 2-[4-keto-5-methyl-6-(o-tolylcar…

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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	1.36	-20.57	1	7	0	90	413.499	8	↓ MOL2 SDF SMILES Flexibase

1784738

Analogs

1281670

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-keto-5-methyl-6-(o-tolylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]acetic-acid-propyl-ester 2-[4-keto-5-methyl-6-(o-tolylcar…

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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)	3.46	1.24	-20.75	1	7	0	90	399.472	7	↓ MOL2 SDF SMILES Flexibase

1784739

Analogs

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Popular Name: (2R)-2-[4-keto-5-methyl-6-(o-tolylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]propionic-acid-2-ethoxyethyl (2R)-2-[4-keto-5-methyl-6-(o-tol…

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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)	3.12	0.18	-16.47	1	8	0	99	443.525	9	↓ MOL2 SDF SMILES Flexibase

1784740

Analogs

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Popular Name: (2S)-2-[4-keto-5-methyl-6-(o-tolylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]propionic-acid-2-ethoxyethyl (2S)-2-[4-keto-5-methyl-6-(o-tol…

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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)	3.12	0.2	-14.78	1	8	0	99	443.525	9	↓ MOL2 SDF SMILES Flexibase

1784741

Analogs

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Popular Name: 2-[4-keto-5-methyl-6-(o-tolylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]acetate 2-[4-keto-5-methyl-6-(o-tolylcar…

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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)	1.97	-0.31	-54.39	1	7	-1	104	356.383	4	↓ MOL2 SDF SMILES Flexibase

1784742

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-keto-5-methyl-6-(o-tolylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]acetic-acid-ethyl-ester 2-[4-keto-5-methyl-6-(o-tolylcar…

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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)	2.96	1.17	-20.94	1	7	0	90	385.445	6	↓ MOL2 SDF SMILES Flexibase

1784743

Analogs

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Popular Name: (2R)-2-[4-keto-5-methyl-6-(o-tolylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]propionic-acid-propyl-ester (2R)-2-[4-keto-5-methyl-6-(o-tol…

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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)	3.82	0.9	-14.19	1	7	0	90	413.499	7	↓ MOL2 SDF SMILES Flexibase

1784744

Analogs

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Popular Name: (2S)-2-[4-keto-5-methyl-6-(o-tolylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]propionic-acid-propyl-ester (2S)-2-[4-keto-5-methyl-6-(o-tol…

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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)	3.82	0.92	-14.22	1	7	0	90	413.499	7	↓ MOL2 SDF SMILES Flexibase

1784745

Analogs

1281670

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-keto-5-methyl-6-(o-tolylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]acetic-acid-isobutyl-ester 2-[4-keto-5-methyl-6-(o-tolylcar…

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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)	3.70	1.56	-20.5	1	7	0	90	413.499	7	↓ MOL2 SDF SMILES Flexibase

1784746

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-keto-5-methyl-6-(o-tolylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]propionic-acid-2-methoxyethy (2S)-2-[4-keto-5-methyl-6-(o-tol…

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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)	2.74	0.22	-14.95	1	8	0	99	429.498	8	↓ MOL2 SDF SMILES Flexibase

1784748

Analogs

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Popular Name: (2R)-2-[4-keto-5-methyl-6-(o-tolylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]propionic-acid-2-methoxyethy (2R)-2-[4-keto-5-methyl-6-(o-tol…

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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)	2.74	0.19	-16.53	1	8	0	99	429.498	8	↓ MOL2 SDF SMILES Flexibase

1784750

Analogs

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Popular Name: 2-[4-keto-5-methyl-6-(o-tolylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]acetic-acid-2-methoxyethyl-ester 2-[4-keto-5-methyl-6-(o-tolylcar…

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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)	2.38	0.54	-22.96	1	8	0	99	415.471	8	↓ MOL2 SDF SMILES Flexibase

14240462

Analogs

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Popular Name: 3,5-dimethyl-4-oxo-N-(2,3,4-trifluorophenyl)thieno[5,4-d]pyrimidine-6-carboxamide 3,5-dimethyl-4-oxo-N-(2,3,4-trif…

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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)	2.67	7.32	-14.84	1	5	0	64	353.325	2	↓ MOL2 SDF SMILES Flexibase

65523424

Analogs

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Popular Name: N-(3-fluorophenyl)-2-(methoxymethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide N-(3-fluorophenyl)-2-(methoxymet…

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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)	2.45	4.62	-14.23	2	6	0	84	347.371	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.91	2.45	-48.56	1	6	-1	87	346.363	4	↓ MOL2 SDF SMILES Flexibase

55494911

Analogs

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Popular Name: 2-[2-(isopropylamino)-2-oxo-ethyl]-5-methyl-4-oxo-N-phenyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide 2-[2-(isopropylamino)-2-oxo-ethy…

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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)	2.31	5.97	-21.6	3	7	0	104	384.461	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.77	3.03	-55.61	2	7	-1	107	383.453	5	↓ MOL2 SDF SMILES Flexibase

55501578

Analogs

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Popular Name: 5-methyl-4-oxo-N-phenyl-2-(2,2,2-trifluoroethoxymethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide 5-methyl-4-oxo-N-phenyl-2-(2,2,2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.23	5.98	-20.09	2	6	0	84	397.378	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.69	3.81	-47.83	1	6	-1	87	396.37	6	↓ MOL2 SDF SMILES Flexibase

55501589

Analogs

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Popular Name: 2-[(1R)-1-chloroethyl]-5-methyl-4-oxo-N-phenyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide 2-[(1R)-1-chloroethyl]-5-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)	3.29	6.54	-12.1	2	5	0	75	347.827	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.75	4.59	-44.15	1	5	-1	78	346.819	3	↓ MOL2 SDF SMILES Flexibase

55501590

Analogs

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Popular Name: 2-[(1S)-1-chloroethyl]-5-methyl-4-oxo-N-phenyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide 2-[(1S)-1-chloroethyl]-5-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)	3.29	6.51	-13.78	2	5	0	75	347.827	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.75	4.59	-44.18	1	5	-1	78	346.819	3	↓ MOL2 SDF SMILES Flexibase

55501602

Analogs

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Popular Name: 2-butyl-5-methyl-4-oxo-N-phenyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide 2-butyl-5-methyl-4-oxo-N-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)	3.97	7.85	-14.11	2	5	0	75	341.436	5	↓ MOL2 SDF SMILES Flexibase

55501609

Analogs

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Popular Name: 2-(3-chloropropyl)-5-methyl-4-oxo-N-phenyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide 2-(3-chloropropyl)-5-methyl-4-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)	3.41	7.7	-17.03	2	5	0	75	361.854	5	↓ MOL2 SDF SMILES Flexibase

55501613

Analogs

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Popular Name: 2-(4-chlorobutyl)-5-methyl-4-oxo-N-phenyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide 2-(4-chlorobutyl)-5-methyl-4-oxo…

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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)	3.68	8.47	-15.85	2	5	0	75	375.881	6	↓ MOL2 SDF SMILES Flexibase

55503088

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-5-methyl-2-[2-(methylamino)-2-oxo-ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-c N-(2,4-dimethylphenyl)-5-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)	2.47	5.88	-22.42	3	7	0	104	384.461	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.92	2.95	-56.05	2	7	-1	107	383.453	4	↓ MOL2 SDF SMILES Flexibase

55503100

Analogs

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Popular Name: 2-[(1R)-1-chloroethyl]-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamid 2-[(1R)-1-chloroethyl]-N-(2,4-di…

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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	8.09	-12.15	2	5	0	75	375.881	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.58	6.16	-44.34	1	5	-1	78	374.873	3	↓ MOL2 SDF SMILES Flexibase

55503101

Analogs

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Popular Name: 2-[(1S)-1-chloroethyl]-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamid 2-[(1S)-1-chloroethyl]-N-(2,4-di…

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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	8.07	-13.85	2	5	0	75	375.881	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.58	6.16	-44.33	1	5	-1	78	374.873	3	↓ MOL2 SDF SMILES Flexibase

65577627

Analogs

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Popular Name: N-(4-fluorophenyl)-2-(methoxymethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide N-(4-fluorophenyl)-2-(methoxymet…

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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)	2.47	4.62	-15.21	2	6	0	84	347.371	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.93	2.45	-45.49	1	6	-1	87	346.363	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 65959
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 = 65959 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=65959&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', {
        "ring.id": "65959"        

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