ZINC 12

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)	-0.85	2.8	-17.52	0	6	0	58	280.353	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.85	5.15	-49.8	1	6	1	60	281.361	1	↓ MOL2 SDF SMILES Flexibase

52930755

Analogs

4089000

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Popular Name: 5-oxo-N,N-dipropyl-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carboxamide 5-oxo-N,N-dipropyl-2,3-dihydroth…

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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)	1.01	6.63	-17.5	0	5	0	55	281.381	5	↓ MOL2 SDF SMILES Flexibase

52931725

Analogs

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Popular Name: N,N-dimethyl-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carboxamide N,N-dimethyl-5-oxo-2,3-dihydroth…

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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)	-0.75	3.3	-18.17	0	5	0	55	225.273	1	↓ MOL2 SDF SMILES Flexibase

53335269

Analogs

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Popular Name: N-[(2R)-2-(5-methyl-2-furyl)-2-morpholino-ethyl]-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carbox N-[(2R)-2-(5-methyl-2-furyl)-2-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)	0.42	4.3	-14.86	1	8	0	90	390.465	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.42	6.34	-38.06	2	8	1	91	391.473	5	↓ MOL2 SDF SMILES Flexibase

53335271

Analogs

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Popular Name: N-[(2S)-2-(5-methyl-2-furyl)-2-morpholino-ethyl]-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carbox N-[(2S)-2-(5-methyl-2-furyl)-2-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)	0.42	3.9	-14.44	1	8	0	90	390.465	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.42	6.37	-37.95	2	8	1	91	391.473	5	↓ MOL2 SDF SMILES Flexibase

53448532

Analogs

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Popular Name: 6-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-2,3-dihydrothiazolo[3,2-a]pyrimidin-5-one 6-[4-(3-methyl-1,2,4-oxadiazol-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)	-0.67	4.3	-23.14	0	8	0	94	347.4	2	↓ MOL2 SDF SMILES Flexibase

36130684

Analogs

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carboxamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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)	-1.01	2.39	-15	1	6	0	75	281.337	4	↓ MOL2 SDF SMILES Flexibase

53576086

Analogs

26354931

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Popular Name: N-(4-anilinophenyl)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carboxamide N-(4-anilinophenyl)-5-oxo-2,3-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)	3.17	7.82	-13.03	2	6	0	76	364.43	4	↓ MOL2 SDF SMILES Flexibase

36339224

Analogs

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Popular Name: (2S)-2-methyl-2-[(5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic (2S)-2-methyl-2-[(5-oxo-2,3-dihy…

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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)	-1.38	5.77	-62.76	1	7	-1	104	310.355	5	↓ MOL2 SDF SMILES Flexibase

36339226

Analogs

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Popular Name: (2R)-2-methyl-2-[(5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic (2R)-2-methyl-2-[(5-oxo-2,3-dihy…

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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)	-1.38	5.88	-63.97	1	7	-1	104	310.355	5	↓ MOL2 SDF SMILES Flexibase

12236088

Analogs

12236090
14030887
14030889

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Popular Name: (3R)-3-(2-oxo-2-pyrrolidin-1-yl-ethyl)-2,3-dihydrothiazolo[2,3-b]pyrimidin-5-one (3R)-3-(2-oxo-2-pyrrolidin-1-yl-…

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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)	0.32	-2	-10.33	0	5	0	55	265.338	2	↓ MOL2 SDF SMILES Flexibase

12236090

Analogs

14030887
14030889
12236088

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Popular Name: (3S)-3-(2-oxo-2-pyrrolidin-1-yl-ethyl)-2,3-dihydrothiazolo[2,3-b]pyrimidin-5-one (3S)-3-(2-oxo-2-pyrrolidin-1-yl-…

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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)	0.32	-2	-10.38	0	5	0	55	265.338	2	↓ MOL2 SDF SMILES Flexibase

12236093

Analogs

12236096
12236099
12236102

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Popular Name: ethyl ethyl

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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)	0.93	-0.63	-14.29	0	7	0	82	351.428	5	↓ MOL2 SDF SMILES Flexibase

12236096

Analogs

12236099
12236102
12236093

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Popular Name: ethyl ethyl

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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)	0.93	-0.66	-12.88	0	7	0	82	351.428	5	↓ MOL2 SDF SMILES Flexibase

12236099

Analogs

12236102
12236093
12236096

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Popular Name: ethyl ethyl

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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)	0.93	-0.65	-13.39	0	7	0	82	351.428	5	↓ MOL2 SDF SMILES Flexibase

12236102

Analogs

12236093
12236096
12236099

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Popular Name: ethyl ethyl

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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)	0.93	-0.64	-13.72	0	7	0	82	351.428	5	↓ MOL2 SDF SMILES Flexibase

12236105

Analogs

12236109

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Popular Name: (3R)-3-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-2,3-dihydrothiazolo[2,3-b]pyrimidin-5-one (3R)-3-[2-(4-benzyl-1-piperidyl)…

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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)	2.49	-0.98	-10.88	0	5	0	55	369.49	4	↓ MOL2 SDF SMILES Flexibase

12236109

Analogs

12236105

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Popular Name: (3S)-3-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-2,3-dihydrothiazolo[2,3-b]pyrimidin-5-one (3S)-3-[2-(4-benzyl-1-piperidyl)…

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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)	2.49	-1.04	-10.46	0	5	0	55	369.49	4	↓ MOL2 SDF SMILES Flexibase

12236112

Analogs

12236113

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Popular Name: (3R)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydrothiazolo[2,3-b]pyrimidin-5-one (3R)-3-[2-oxo-2-(4-phenylpiperaz…

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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)	1.50	-3.45	-11.53	0	6	0	58	356.451	3	↓ MOL2 SDF SMILES Flexibase

12236113

Analogs

12236112

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Popular Name: (3S)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydrothiazolo[2,3-b]pyrimidin-5-one (3S)-3-[2-oxo-2-(4-phenylpiperaz…

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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)	1.50	-3.45	-10.67	0	6	0	58	356.451	3	↓ MOL2 SDF SMILES Flexibase

12236121

Analogs

12236126

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Popular Name: (3R)-3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-2,3-dihydrothiazolo[2,3-b]pyrimidin-5-one (3R)-3-[2-[4-(2-chlorophenyl)pip…

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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)	2.13	-3.06	-10.7	0	6	0	58	390.896	3	↓ MOL2 SDF SMILES Flexibase

12236126

Analogs

12236121

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Popular Name: (3S)-3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-2,3-dihydrothiazolo[2,3-b]pyrimidin-5-one (3S)-3-[2-[4-(2-chlorophenyl)pip…

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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)	2.13	-3.35	-11.48	0	6	0	58	390.896	3	↓ MOL2 SDF SMILES Flexibase

12236129

Analogs

12236131

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Popular Name: (3R)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-2,3-dihydrothiazolo[2,3-b]pyrimidin-5-one (3R)-3-[2-[4-(2-fluorophenyl)pip…

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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)	1.62	-2.49	-11.51	0	6	0	58	374.441	3	↓ MOL2 SDF SMILES Flexibase

12236131

Analogs

12236129

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Popular Name: (3S)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-2,3-dihydrothiazolo[2,3-b]pyrimidin-5-one (3S)-3-[2-[4-(2-fluorophenyl)pip…

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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)	1.62	-2.95	-10.99	0	6	0	58	374.441	3	↓ MOL2 SDF SMILES Flexibase

12236135

Analogs

12236137

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Popular Name: (3R)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-2,3-dihydrothiazolo[2,3-b]pyrimidin-5-one (3R)-3-[2-[4-(4-methoxyphenyl)pi…

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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)	1.56	-3.45	-12.85	0	7	0	68	386.477	4	↓ MOL2 SDF SMILES Flexibase

12236137

Analogs

12236135

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Popular Name: (3S)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-2,3-dihydrothiazolo[2,3-b]pyrimidin-5-one (3S)-3-[2-[4-(4-methoxyphenyl)pi…

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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)	1.56	-3.45	-12.06	0	7	0	68	386.477	4	↓ MOL2 SDF SMILES Flexibase

12236141

Analogs

12236142

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Popular Name: (3R)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-2,3-dihydrothiazolo[2,3-b]pyrimidin-5-one (3R)-3-[2-(3,4-dihydro-1H-isoqui…

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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)	1.31	-1.51	-10	0	5	0	55	327.409	2	↓ MOL2 SDF SMILES Flexibase

12236142

Analogs

12236141

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Popular Name: (3S)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-2,3-dihydrothiazolo[2,3-b]pyrimidin-5-one (3S)-3-[2-(3,4-dihydro-1H-isoqui…

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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)	1.31	-1.5	-11.17	0	5	0	55	327.409	2	↓ MOL2 SDF SMILES Flexibase

12236144

Analogs

12236146

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Popular Name: N-(3-isopropoxypropyl)-2-[(3R)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]acetamide N-(3-isopropoxypropyl)-2-[(3R)-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)	0.67	-3.24	-11.25	1	6	0	73	311.407	7	↓ MOL2 SDF SMILES Flexibase

12236146

Analogs

12236144

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Popular Name: N-(3-isopropoxypropyl)-2-[(3S)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]acetamide N-(3-isopropoxypropyl)-2-[(3S)-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)	0.67	-3.27	-10.8	1	6	0	73	311.407	7	↓ MOL2 SDF SMILES Flexibase

12236150

Analogs

12236154

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Popular Name: N-cyclopentyl-2-[(3R)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]acetamide N-cyclopentyl-2-[(3R)-5-oxo-2,3-…

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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)	1.07	-2.94	-10.28	1	5	0	64	279.365	3	↓ MOL2 SDF SMILES Flexibase

12236154

Analogs

12236150

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Popular Name: N-cyclopentyl-2-[(3S)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]acetamide N-cyclopentyl-2-[(3S)-5-oxo-2,3-…

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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)	1.07	-2.86	-10.22	1	5	0	64	279.365	3	↓ MOL2 SDF SMILES Flexibase

12236156

Analogs

12236159

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Popular Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(3R)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]acetamide N-[2-(1-cyclohexenyl)ethyl]-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)	2.05	-2.77	-10.56	1	5	0	64	319.43	5	↓ MOL2 SDF SMILES Flexibase

12236159

Analogs

12236156

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Popular Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(3S)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]acetamide N-[2-(1-cyclohexenyl)ethyl]-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)	2.05	-2.79	-10.3	1	5	0	64	319.43	5	↓ MOL2 SDF SMILES Flexibase

12236162

Analogs

12236167
12236170
12236174

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Popular Name: 2-[(3R)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetami 2-[(3R)-5-oxo-2,3-dihydrothiazol…

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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)	0.05	-4.33	-11.86	1	6	0	73	295.364	4	↓ MOL2 SDF SMILES Flexibase

12236167

Analogs

12236170
12236174
12236162

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Popular Name: 2-[(3S)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetami 2-[(3S)-5-oxo-2,3-dihydrothiazol…

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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)	0.05	-4.4	-10.19	1	6	0	73	295.364	4	↓ MOL2 SDF SMILES Flexibase

12236170

Analogs

12236174
12236162
12236167

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetami 2-[(3R)-5-oxo-2,3-dihydrothiazol…

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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)	0.05	-4.27	-10.14	1	6	0	73	295.364	4	↓ MOL2 SDF SMILES Flexibase

12236174

Analogs

12236162
12236167
12236170

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetami 2-[(3S)-5-oxo-2,3-dihydrothiazol…

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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)	0.05	-4.31	-11.22	1	6	0	73	295.364	4	↓ MOL2 SDF SMILES Flexibase

12236177

Analogs

12236180

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-methoxyphenyl)methyl]-2-[(3R)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]acetamide N-[(2-methoxyphenyl)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)	1.08	-2.69	-11.76	1	6	0	73	331.397	5	↓ MOL2 SDF SMILES Flexibase

12236180

Analogs

12236177

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-methoxyphenyl)methyl]-2-[(3S)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]acetamide N-[(2-methoxyphenyl)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)	1.08	-2.67	-11.46	1	6	0	73	331.397	5	↓ MOL2 SDF SMILES Flexibase

12236182

Analogs

12236185
14031043
14031044

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Popular Name: 2-[(3R)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]-N-(p-tolylmethyl)acetamide 2-[(3R)-5-oxo-2,3-dihydrothiazol…

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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)	1.52	-2.41	-10.65	1	5	0	64	315.398	4	↓ MOL2 SDF SMILES Flexibase

12236185

Analogs

14031043
14031044
12236182

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]-N-(p-tolylmethyl)acetamide 2-[(3S)-5-oxo-2,3-dihydrothiazol…

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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)	1.52	-2.44	-10.18	1	5	0	64	315.398	4	↓ MOL2 SDF SMILES Flexibase

12236189

Analogs

12236192

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzhydryl-2-[(3R)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]acetamide N-benzhydryl-2-[(3R)-5-oxo-2,3-d…

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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)	2.85	-1.43	-12.08	1	5	0	64	377.469	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 6724 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
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