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ZINC Item

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2575407

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4H-pyrido[1,2-a]pyrimidin-4-one 3-amino-4H-pyrido[1,2-a]pyrimidi…

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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)	0.46	-1.25	-10.48	2	4	0	60	161.164	0	↓ MOL2 SDF SMILES Flexibase

1389925

Analogs

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Popular Name: 3-amino-4-oxo-4H-quinolizine-1-carbonitrile 3-amino-4-oxo-4H-quinolizine-1-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)	0.88	3.49	-9.06	2	4	0	71	185.186	0	↓ MOL2 SDF SMILES Flexibase

528925

Analogs

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Popular Name: N-(4-Oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-benzamide N-(4-Oxo-4H-pyrido[1,2-a]pyrimid…

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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	0.48	-22.22	1	5	0	63	265.272	2	↓ MOL2 SDF SMILES Flexibase

236440

Analogs

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Popular Name: 4-Fluoro-N-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-benzamide 4-Fluoro-N-(4-oxo-4H-pyrido[1,2-…

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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)	2.03	7.56	-20.57	1	5	0	63	283.262	2	↓ MOL2 SDF SMILES Flexibase

2890175

Analogs

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Popular Name: 4-Methoxy-N-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-benzamide 4-Methoxy-N-(4-oxo-4H-pyrido[1,2…

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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)	1.93	6.49	-21.74	1	6	0	73	295.298	3	↓ MOL2 SDF SMILES Flexibase

4511223

Analogs

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Popular Name: N-(5-Oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)-benzamide N-(5-Oxo-5H-thiazolo[3,2-a]pyrim…

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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)	1.61	-0.12	-20.45	1	5	0	63	271.301	2	↓ MOL2 SDF SMILES Flexibase

308548

Analogs

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Popular Name: 4-Fluoro-N-(5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)-benzamide 4-Fluoro-N-(5-oxo-5H-thiazolo[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)	1.77	0.61	-19.13	1	5	0	63	289.291	2	↓ MOL2 SDF SMILES Flexibase

35021695

Analogs

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Popular Name: 3-(2-Morpholin-4-yl-2-oxo-ethylamino)-4-oxo-4H-quinolizine-1-carbonitrile 3-(2-Morpholin-4-yl-2-oxo-ethyla…

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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)	0.45	4.4	-16.69	1	7	0	87	312.329	3	↓ MOL2 SDF SMILES Flexibase

35021697

Analogs

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Popular Name: 2-(1-Cyano-4-oxo-4H-quinolizin-3-ylamino)-N,N-diethyl-acetamide 2-(1-Cyano-4-oxo-4H-quinolizin-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)	1.35	6.72	-15.74	1	6	0	78	298.346	5	↓ MOL2 SDF SMILES Flexibase

35021700

Analogs

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Popular Name: 2-(1-Cyano-4-oxo-4H-quinolizin-3-ylamino)-N-propyl-acetamide 2-(1-Cyano-4-oxo-4H-quinolizin-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)	1.74	4.48	-15.9	2	6	0	86	284.319	5	↓ MOL2 SDF SMILES Flexibase

35021703

Analogs

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Popular Name: 2-(1-Cyano-4-oxo-4H-quinolizin-3-ylamino)-N-(2-hydroxy-ethyl)-acetamide 2-(1-Cyano-4-oxo-4H-quinolizin-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)	0.23	0.39	-17.43	3	7	0	107	286.291	5	↓ MOL2 SDF SMILES Flexibase

35021706

Analogs

35021728
35021928

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-Cyano-4-oxo-4H-quinolizin-3-ylamino)-N-(2-dimethylamino-ethyl)-acetamide 2-(1-Cyano-4-oxo-4H-quinolizin-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)	0.89	5	-50.11	3	7	1	91	314.369	6	↓ MOL2 SDF SMILES Flexibase

35021709

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Oxo-3-(2-oxo-2-piperidin-1-yl-ethylamino)-4H-quinolizine-1-carbonitrile 4-Oxo-3-(2-oxo-2-piperidin-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)	1.51	6.83	-15.84	1	6	0	78	310.357	3	↓ MOL2 SDF SMILES Flexibase

35021712

Analogs

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Popular Name: 2-(1-Cyano-4-oxo-4H-quinolizin-3-ylamino)-N-cyclohexylmethyl-acetamide 2-(1-Cyano-4-oxo-4H-quinolizin-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)	3.15	7.14	-15.43	2	6	0	86	338.411	5	↓ MOL2 SDF SMILES Flexibase

35021714

Analogs

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Popular Name: N-Benzyl-2-(1-cyano-4-oxo-4H-quinolizin-3-ylamino)-acetamide N-Benzyl-2-(1-cyano-4-oxo-4H-qui…

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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	6.73	-15.44	2	6	0	86	332.363	5	↓ MOL2 SDF SMILES Flexibase

35021717

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-Cyano-4-oxo-4H-quinolizin-3-ylamino)-N-thiophen-2-ylmethyl-acetamide 2-(1-Cyano-4-oxo-4H-quinolizin-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)	2.15	5.85	-15.32	2	6	0	86	338.392	5	↓ MOL2 SDF SMILES Flexibase

35021720

Analogs

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Popular Name: N-(1H-Benzoimidazol-2-ylmethyl)-2-(1-cyano-4-oxo-4H-quinolizin-3-ylamino)-acetamide N-(1H-Benzoimidazol-2-ylmethyl)-…

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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)	1.85	5.45	-19.01	3	8	0	115	372.388	5	↓ MOL2 SDF SMILES Flexibase

35021722

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-Cyano-4-oxo-4H-quinolizin-3-ylamino)-N-phenethyl-acetamide 2-(1-Cyano-4-oxo-4H-quinolizin-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)	2.66	7.5	-17.7	2	6	0	86	346.39	6	↓ MOL2 SDF SMILES Flexibase

35021726

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-Cyano-4-oxo-4H-quinolizin-3-ylamino)-N-(2-methoxy-ethyl)-acetamide 2-(1-Cyano-4-oxo-4H-quinolizin-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)	0.84	2.79	-16.23	2	7	0	96	300.318	6	↓ MOL2 SDF SMILES Flexibase

35021728

Analogs

35021706

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-Acetylamino-ethyl)-2-(1-cyano-4-oxo-4H-quinolizin-3-ylamino)-acetamide N-(2-Acetylamino-ethyl)-2-(1-cya…

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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)	0.00	2.05	-20.75	3	8	0	116	327.344	6	↓ MOL2 SDF SMILES Flexibase

35021729

Analogs

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Popular Name: (1-Cyano-4-oxo-4H-quinolizin-3-yl)-carbamic acid benzyl ester (1-Cyano-4-oxo-4H-quinolizin-3-y…

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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)	2.69	8.44	-17.43	1	6	0	84	319.32	4	↓ MOL2 SDF SMILES Flexibase

35021732

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-Cyano-4-oxo-4H-quinolizin-3-ylamino)-acetic acid (1-Cyano-4-oxo-4H-quinolizin-3-y…

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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	5.26	-51.34	1	6	-1	97	242.214	3	↓ MOL2 SDF SMILES Flexibase

35021736

Analogs

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Popular Name: (4-Oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-carbamic acid benzyl ester (4-Oxo-4H-pyrido[1,2-a]pyrimidin…

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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)	2.28	7.2	-19.49	1	6	0	73	295.298	4	↓ MOL2 SDF SMILES Flexibase

35021738

Analogs

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Popular Name: 3-Benzyloxycarbonylamino-4-oxo-4H-quinolizine-1-carboxylic acid ethyl ester 3-Benzyloxycarbonylamino-4-oxo-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.15	9.69	-16.6	1	7	0	86	366.373	7	↓ MOL2 SDF SMILES Flexibase

35021741

Analogs

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Popular Name: (5-Oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)-carbamic acid benzyl ester (5-Oxo-5H-thiazolo[3,2-a]pyrimid…

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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)	2.02	6.52	-17.72	1	6	0	73	301.327	4	↓ MOL2 SDF SMILES Flexibase

35021744

Analogs

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Popular Name: (4-Oxo-4H-pyrido[1,2-a]pyrimidin-3-ylamino)-acetic acid ethyl ester (4-Oxo-4H-pyrido[1,2-a]pyrimidin…

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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	5.06	-15	1	6	0	73	247.254	5	↓ MOL2 SDF SMILES Flexibase

35021746

Analogs

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Popular Name: 6-Benzylamino-thiazolo[3,2-a]pyrimidin-5-one 6-Benzylamino-thiazolo[3,2-a]pyr…

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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	6.29	-9.71	1	4	0	46	257.318	3	↓ MOL2 SDF SMILES Flexibase

35021749

Analogs

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Popular Name: (5-Oxo-5H-thiazolo[3,2-a]pyrimidin-6-ylamino)-acetic acid ethyl ester (5-Oxo-5H-thiazolo[3,2-a]pyrimid…

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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)	0.81	4.3	-13.86	1	6	0	73	253.283	5	↓ MOL2 SDF SMILES Flexibase

35021752

Analogs

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Popular Name: 6-amino-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one 6-amino-5H-[1,3]thiazolo[3,2-a]p…

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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)	0.20	1.56	-9.36	2	4	0	60	167.193	0	↓ MOL2 SDF SMILES Flexibase

35021755

Analogs

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Popular Name: (4-Oxo-4H-pyrido[1,2-a]pyrimidin-3-ylamino)-acetic acid (4-Oxo-4H-pyrido[1,2-a]pyrimidin…

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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)	-0.83	4.51	-59.33	2	6	0	88	219.2	3	↓ MOL2 SDF SMILES Flexibase

35021758

Analogs

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Popular Name: N,N-Diethyl-2-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-ylamino)-acetamide N,N-Diethyl-2-(4-oxo-4H-pyrido[1…

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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)	0.94	5.52	-18.13	1	6	0	67	274.324	5	↓ MOL2 SDF SMILES Flexibase

35021762

Analogs

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Popular Name: 2-(4-Oxo-4H-pyrido[1,2-a]pyrimidin-3-ylamino)-N-propyl-acetamide 2-(4-Oxo-4H-pyrido[1,2-a]pyrimid…

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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)	1.32	3.28	-18.12	2	6	0	76	260.297	5	↓ MOL2 SDF SMILES Flexibase

35021764

Analogs

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Popular Name: N-(2-Hydroxy-ethyl)-2-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-ylamino)-acetamide N-(2-Hydroxy-ethyl)-2-(4-oxo-4H-…

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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)	-0.19	-0.81	-19.69	3	7	0	96	262.269	5	↓ MOL2 SDF SMILES Flexibase

35021766

Analogs

35021879
35022106

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-Dimethylamino-ethyl)-2-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-ylamino)-acetamide N-(2-Dimethylamino-ethyl)-2-(4-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)	0.47	4.26	-91.69	4	7	2	81	291.355	6	↓ MOL2 SDF SMILES Flexibase

35021770

Analogs

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Popular Name: 3-(2-Oxo-2-piperidin-1-yl-ethylamino)-pyrido[1,2-a]pyrimidin-4-one 3-(2-Oxo-2-piperidin-1-yl-ethyla…

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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)	1.10	5.63	-18.19	1	6	0	67	286.335	3	↓ MOL2 SDF SMILES Flexibase

35021771

Analogs

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Popular Name: 3-(2-Morpholin-4-yl-2-oxo-ethylamino)-pyrido[1,2-a]pyrimidin-4-one 3-(2-Morpholin-4-yl-2-oxo-ethyla…

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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)	0.03	3.2	-18.97	1	7	0	76	288.307	3	↓ MOL2 SDF SMILES Flexibase

35021773

Analogs

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Popular Name: N,N-Diethyl-2-(5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-ylamino)-acetamide N,N-Diethyl-2-(5-oxo-5H-thiazolo…

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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)	0.68	4.75	-16.82	1	6	0	67	280.353	5	↓ MOL2 SDF SMILES Flexibase

35021776

Analogs

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Popular Name: 2-(5-Oxo-5H-thiazolo[3,2-a]pyrimidin-6-ylamino)-N-propyl-acetamide 2-(5-Oxo-5H-thiazolo[3,2-a]pyrim…

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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)	1.06	2.52	-16.91	2	6	0	76	266.326	5	↓ MOL2 SDF SMILES Flexibase

35021778

Analogs

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Popular Name: N-(2-Hydroxy-ethyl)-2-(5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-ylamino)-acetamide N-(2-Hydroxy-ethyl)-2-(5-oxo-5H-…

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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)	-0.45	-1.57	-18.43	3	7	0	96	268.298	5	↓ MOL2 SDF SMILES Flexibase

35021779

Analogs

35021808

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-Dimethylamino-ethyl)-2-(5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-ylamino)-acetamide N-(2-Dimethylamino-ethyl)-2-(5-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)	0.21	3.5	-91.59	4	7	2	81	297.384	6	↓ MOL2 SDF SMILES Flexibase

35021782

Analogs

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Popular Name: 6-(2-Oxo-2-piperidin-1-yl-ethylamino)-thiazolo[3,2-a]pyrimidin-5-one 6-(2-Oxo-2-piperidin-1-yl-ethyla…

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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)	0.83	4.86	-16.94	1	6	0	67	292.364	3	↓ MOL2 SDF SMILES Flexibase

35021784

Analogs

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Popular Name: 6-(2-Morpholin-4-yl-2-oxo-ethylamino)-thiazolo[3,2-a]pyrimidin-5-one 6-(2-Morpholin-4-yl-2-oxo-ethyla…

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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)	-0.23	2.43	-17.84	1	7	0	76	294.336	3	↓ MOL2 SDF SMILES Flexibase

35021787

Analogs

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Popular Name: N-Cyclohexylmethyl-2-(5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-ylamino)-acetamide N-Cyclohexylmethyl-2-(5-oxo-5H-t…

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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	5.17	-16.48	2	6	0	76	320.418	5	↓ MOL2 SDF SMILES Flexibase

35021788

Analogs

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Popular Name: N-Benzyl-2-(5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-ylamino)-acetamide N-Benzyl-2-(5-oxo-5H-thiazolo[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)	1.58	4.77	-16.37	2	6	0	76	314.37	5	↓ MOL2 SDF SMILES Flexibase

35021791

Analogs

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Popular Name: 2-(5-Oxo-5H-thiazolo[3,2-a]pyrimidin-6-ylamino)-N-pyridin-4-ylmethyl-acetamide 2-(5-Oxo-5H-thiazolo[3,2-a]pyrim…

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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)	0.29	3	-17.9	2	7	0	88	315.358	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.29	3.46	-51.13	3	7	1	90	316.366	5	↓ MOL2 SDF SMILES Flexibase

35021793

Analogs

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Popular Name: 2-(5-Oxo-5H-thiazolo[3,2-a]pyrimidin-6-ylamino)-N-thiophen-2-ylmethyl-acetamide 2-(5-Oxo-5H-thiazolo[3,2-a]pyrim…

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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)	1.48	3.88	-16.21	2	6	0	76	320.399	5	↓ MOL2 SDF SMILES Flexibase

35021796

Analogs

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Popular Name: N-(1H-Benzoimidazol-2-ylmethyl)-2-(5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-ylamino)-acetamide N-(1H-Benzoimidazol-2-ylmethyl)-…

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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)	1.18	3.48	-19.9	3	8	0	104	354.395	5	↓ MOL2 SDF SMILES Flexibase

35021799

Analogs

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Popular Name: 2-(5-Oxo-5H-thiazolo[3,2-a]pyrimidin-6-ylamino)-N-phenethyl-acetamide 2-(5-Oxo-5H-thiazolo[3,2-a]pyrim…

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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)	1.98	5.54	-18.74	2	6	0	76	328.397	6	↓ MOL2 SDF SMILES Flexibase

35021802

Analogs

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Popular Name: N-(2-Methoxy-ethyl)-2-(5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-ylamino)-acetamide N-(2-Methoxy-ethyl)-2-(5-oxo-5H-…

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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)	0.17	0.83	-17.1	2	7	0	85	282.325	6	↓ MOL2 SDF SMILES Flexibase

35021803

Analogs

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Popular Name: N-(2-Acetylamino-ethyl)-2-(5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-ylamino)-acetamide N-(2-Acetylamino-ethyl)-2-(5-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)	-0.67	0.1	-21.62	3	8	0	105	309.351	6	↓ MOL2 SDF SMILES Flexibase

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catalog.name = chemivate
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        "catalog.name": "chemivate"        

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