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ZINC Item

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21537526

Analogs

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Popular Name: N-[(3-chlorophenyl)methyl]-2-[(3R)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6 N-[(3-chlorophenyl)methyl]-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)	2.83	7.7	-10.76	1	7	0	80	417.922	4	↓ MOL2 SDF SMILES Flexibase

21537528

Analogs

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Popular Name: N-[(3-chlorophenyl)methyl]-2-[(3S)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6 N-[(3-chlorophenyl)methyl]-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)	2.83	7.86	-10.16	1	7	0	80	417.922	4	↓ MOL2 SDF SMILES Flexibase

21537538

Analogs

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Popular Name: N-benzyl-2-[(3R)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide N-benzyl-2-[(3R)-3-methyl-1-pipe…

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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)	2.18	7.19	-10.9	1	7	0	80	383.477	4	↓ MOL2 SDF SMILES Flexibase

21537539

Analogs

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Popular Name: N-benzyl-2-[(3S)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide N-benzyl-2-[(3S)-3-methyl-1-pipe…

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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)	2.18	7.36	-10.45	1	7	0	80	383.477	4	↓ MOL2 SDF SMILES Flexibase

21537541

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-2-[(3R)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6 N-[(2-chlorophenyl)methyl]-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)	2.81	7.62	-11.96	1	7	0	80	417.922	4	↓ MOL2 SDF SMILES Flexibase

21537543

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-2-[(3S)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6 N-[(2-chlorophenyl)methyl]-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)	2.81	7.79	-11.4	1	7	0	80	417.922	4	↓ MOL2 SDF SMILES Flexibase

21537545

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-2-[(3R)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6 N-[(4-chlorophenyl)methyl]-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)	2.86	7.71	-10.14	1	7	0	80	417.922	4	↓ MOL2 SDF SMILES Flexibase

21537547

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-2-[(3S)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6 N-[(4-chlorophenyl)methyl]-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)	2.86	7.88	-9.59	1	7	0	80	417.922	4	↓ MOL2 SDF SMILES Flexibase

21537576

Analogs

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Popular Name: N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine- N-[(4-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)	2.24	6.51	-11.85	1	8	0	89	413.503	5	↓ MOL2 SDF SMILES Flexibase

21537578

Analogs

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Popular Name: N-[(4-methoxyphenyl)methyl]-2-[(3S)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine- N-[(4-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)	2.24	6.67	-11.31	1	8	0	89	413.503	5	↓ MOL2 SDF SMILES Flexibase

21537580

Analogs

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Popular Name: 2-[(3R)-3-methyl-1-piperidyl]-5-oxo-N-(p-tolylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxam 2-[(3R)-3-methyl-1-piperidyl]-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)	2.63	7.86	-10.93	1	7	0	80	397.504	4	↓ MOL2 SDF SMILES Flexibase

21537582

Analogs

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Popular Name: 2-[(3S)-3-methyl-1-piperidyl]-5-oxo-N-(p-tolylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxam 2-[(3S)-3-methyl-1-piperidyl]-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)	2.63	8.03	-10.46	1	7	0	80	397.504	4	↓ MOL2 SDF SMILES Flexibase

21537612

Analogs

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Popular Name: 2-[(3R)-3-methyl-1-piperidyl]-N-(m-tolylmethyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxam 2-[(3R)-3-methyl-1-piperidyl]-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)	2.60	7.85	-10.94	1	7	0	80	397.504	4	↓ MOL2 SDF SMILES Flexibase

21537614

Analogs

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Popular Name: 2-[(3S)-3-methyl-1-piperidyl]-N-(m-tolylmethyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxam 2-[(3S)-3-methyl-1-piperidyl]-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)	2.60	8.02	-10.58	1	7	0	80	397.504	4	↓ MOL2 SDF SMILES Flexibase

21537634

Analogs

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Popular Name: N-[(2-methoxyphenyl)methyl]-2-[(3R)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine- 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)	2.19	6.57	-13.33	1	8	0	89	413.503	5	↓ MOL2 SDF SMILES Flexibase

21537635

Analogs

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Popular Name: N-[(2-methoxyphenyl)methyl]-2-[(3S)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine- 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)	2.19	6.73	-12.83	1	8	0	89	413.503	5	↓ MOL2 SDF SMILES Flexibase

21537637

Analogs

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Popular Name: N-[(3-methoxyphenyl)methyl]-2-[(3R)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine- N-[(3-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)	2.21	6.51	-12.48	1	8	0	89	413.503	5	↓ MOL2 SDF SMILES Flexibase

21537639

Analogs

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Popular Name: N-[(3-methoxyphenyl)methyl]-2-[(3S)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine- N-[(3-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)	2.21	6.67	-11.95	1	8	0	89	413.503	5	↓ MOL2 SDF SMILES Flexibase

21537641

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-2-[(3R)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6 N-[(4-fluorophenyl)methyl]-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)	2.34	7.26	-10.56	1	7	0	80	401.467	4	↓ MOL2 SDF SMILES Flexibase

21537642

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6 N-[(4-fluorophenyl)methyl]-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)	2.34	7.43	-10.03	1	7	0	80	401.467	4	↓ MOL2 SDF SMILES Flexibase

21537674

Analogs

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Popular Name: N-[(2-bromophenyl)methyl]-2-[(3R)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6- N-[(2-bromophenyl)methyl]-2-[(3R…

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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)	2.94	7.71	-11.82	1	7	0	80	462.373	4	↓ MOL2 SDF SMILES Flexibase

21537676

Analogs

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Popular Name: N-[(2-bromophenyl)methyl]-2-[(3S)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6- N-[(2-bromophenyl)methyl]-2-[(3S…

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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)	2.94	7.87	-11.24	1	7	0	80	462.373	4	↓ MOL2 SDF SMILES Flexibase

21537693

Analogs

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Popular Name: N-[(2-fluorophenyl)methyl]-2-[(3R)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6 N-[(2-fluorophenyl)methyl]-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)	2.29	7.23	-13.06	1	7	0	80	401.467	4	↓ MOL2 SDF SMILES Flexibase

21537695

Analogs

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Popular Name: N-[(2-fluorophenyl)methyl]-2-[(3S)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6 N-[(2-fluorophenyl)methyl]-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)	2.29	7.39	-12.49	1	7	0	80	401.467	4	↓ MOL2 SDF SMILES Flexibase

21537697

Analogs

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Popular Name: N-[(2-ethoxyphenyl)methyl]-2-[(3R)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6 N-[(2-ethoxyphenyl)methyl]-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)	2.56	7.49	-13.3	1	8	0	89	427.53	6	↓ MOL2 SDF SMILES Flexibase

21537699

Analogs

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Popular Name: N-[(2-ethoxyphenyl)methyl]-2-[(3S)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6 N-[(2-ethoxyphenyl)methyl]-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)	2.56	7.65	-12.86	1	8	0	89	427.53	6	↓ MOL2 SDF SMILES Flexibase

21537701

Analogs

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Popular Name: N-[(3-ethoxy-4-methoxy-phenyl)methyl]-2-[(3R)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]p N-[(3-ethoxy-4-methoxy-phenyl)me…

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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)	2.20	7.33	-13.98	1	9	0	98	457.556	7	↓ MOL2 SDF SMILES Flexibase

21537703

Analogs

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Popular Name: N-[(3-ethoxy-4-methoxy-phenyl)methyl]-2-[(3S)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]p N-[(3-ethoxy-4-methoxy-phenyl)me…

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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)	2.20	7.5	-13.5	1	9	0	98	457.556	7	↓ MOL2 SDF SMILES Flexibase

21537709

Analogs

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(3R)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimid N-[(3,4-dimethoxyphenyl)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)	1.83	6.42	-14.03	1	9	0	98	443.529	6	↓ MOL2 SDF SMILES Flexibase

21537711

Analogs

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(3S)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimid N-[(3,4-dimethoxyphenyl)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)	1.83	6.59	-13.47	1	9	0	98	443.529	6	↓ MOL2 SDF SMILES Flexibase

21537713

Analogs

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Popular Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-2-[(3R)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]p N-[(4-ethoxy-3-methoxy-phenyl)me…

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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)	2.20	7.34	-13.96	1	9	0	98	457.556	7	↓ MOL2 SDF SMILES Flexibase

21537715

Analogs

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Popular Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-2-[(3S)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]p N-[(4-ethoxy-3-methoxy-phenyl)me…

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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)	2.20	7.51	-13.34	1	9	0	98	457.556	7	↓ MOL2 SDF SMILES Flexibase

21537717

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Popular Name: 2-[(3R)-3-methyl-1-piperidyl]-N-[(4-methylsulfanylphenyl)methyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyri 2-[(3R)-3-methyl-1-piperidyl]-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)	2.61	8.23	-11.41	1	7	0	80	429.571	5	↓ MOL2 SDF SMILES Flexibase

21537718

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Popular Name: 2-[(3S)-3-methyl-1-piperidyl]-N-[(4-methylsulfanylphenyl)methyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyri 2-[(3S)-3-methyl-1-piperidyl]-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)	2.61	8.4	-10.82	1	7	0	80	429.571	5	↓ MOL2 SDF SMILES Flexibase

21537720

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Popular Name: N-[(2,4-dimethoxyphenyl)methyl]-2-[(3R)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimid N-[(2,4-dimethoxyphenyl)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)	2.22	5.87	-14.06	1	9	0	98	443.529	6	↓ MOL2 SDF SMILES Flexibase

21537722

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Popular Name: N-[(2,4-dimethoxyphenyl)methyl]-2-[(3S)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimid N-[(2,4-dimethoxyphenyl)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)	2.22	6.04	-13.5	1	9	0	98	443.529	6	↓ MOL2 SDF SMILES Flexibase

21537724

Analogs

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Popular Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[(3R)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimid N-[(2,3-dimethoxyphenyl)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)	2.00	7.07	-14.12	1	9	0	98	443.529	6	↓ MOL2 SDF SMILES Flexibase

21537726

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Popular Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[(3S)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimid N-[(2,3-dimethoxyphenyl)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)	2.00	6.64	-14.46	1	9	0	98	443.529	6	↓ MOL2 SDF SMILES Flexibase

21537728

Analogs

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Popular Name: N-[(2,5-dimethoxyphenyl)methyl]-2-[(3R)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimid N-[(2,5-dimethoxyphenyl)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)	2.22	5.86	-14.17	1	9	0	98	443.529	6	↓ MOL2 SDF SMILES Flexibase

21537730

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Popular Name: N-[(2,5-dimethoxyphenyl)methyl]-2-[(3S)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimid N-[(2,5-dimethoxyphenyl)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)	2.22	6.03	-13.85	1	9	0	98	443.529	6	↓ MOL2 SDF SMILES Flexibase

21537732

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Popular Name: N-[(4-ethoxyphenyl)methyl]-2-[(3R)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6 N-[(4-ethoxyphenyl)methyl]-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)	2.61	7.43	-11.73	1	8	0	89	427.53	6	↓ MOL2 SDF SMILES Flexibase

21537734

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Popular Name: N-[(4-ethoxyphenyl)methyl]-2-[(3S)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6 N-[(4-ethoxyphenyl)methyl]-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)	2.61	7.6	-11.16	1	8	0	89	427.53	6	↓ MOL2 SDF SMILES Flexibase

21537736

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Popular Name: N-[(4-dimethylaminophenyl)methyl]-2-[(3R)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrim N-[(4-dimethylaminophenyl)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)	2.28	7.69	-12.11	1	8	0	83	426.546	5	↓ MOL2 SDF SMILES Flexibase

21537738

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Popular Name: N-[(4-dimethylaminophenyl)methyl]-2-[(3S)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrim N-[(4-dimethylaminophenyl)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)	2.28	7.83	-11.61	1	8	0	83	426.546	5	↓ MOL2 SDF SMILES Flexibase

21537759

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Popular Name: N-[(3-bromophenyl)methyl]-2-[(3R)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6- N-[(3-bromophenyl)methyl]-2-[(3R…

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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	7.8	-10.69	1	7	0	80	462.373	4	↓ MOL2 SDF SMILES Flexibase

21537761

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Popular Name: N-[(3-bromophenyl)methyl]-2-[(3S)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6- N-[(3-bromophenyl)methyl]-2-[(3S…

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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	7.97	-10.11	1	7	0	80	462.373	4	↓ MOL2 SDF SMILES Flexibase

21537763

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Popular Name: 2-[(3R)-3-methyl-1-piperidyl]-N-(o-tolylmethyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxam 2-[(3R)-3-methyl-1-piperidyl]-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)	2.58	7.88	-10.84	1	7	0	80	397.504	4	↓ MOL2 SDF SMILES Flexibase

21537765

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Popular Name: 2-[(3S)-3-methyl-1-piperidyl]-N-(o-tolylmethyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxam 2-[(3S)-3-methyl-1-piperidyl]-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)	2.58	8.04	-10.36	1	7	0	80	397.504	4	↓ MOL2 SDF SMILES Flexibase

21537767

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Popular Name: N-[(4-isopropoxyphenyl)methyl]-2-[(3R)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidi N-[(4-isopropoxyphenyl)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)	2.98	8.06	-11.69	1	8	0	89	441.557	6	↓ MOL2 SDF SMILES Flexibase

21537769

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Popular Name: N-[(4-isopropoxyphenyl)methyl]-2-[(3S)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidi N-[(4-isopropoxyphenyl)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)	2.98	8.21	-11.15	1	8	0	89	441.557	6	↓ MOL2 SDF SMILES Flexibase

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