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)	0.64	4.1	-17.4	2	8	0	84	390.41	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.64	6.53	-54.91	3	8	1	85	391.418	7	↓ MOL2 SDF SMILES Flexibase

57994726

Analogs

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Popular Name: 1-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3-[(3S)-1-(2,2,2-trifluoro 1-[3-(3-oxo-5,6,7,8-tetrahydro-[…

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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)	0.64	4.1	-18.32	2	8	0	84	390.41	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.64	6.53	-55.5	3	8	1	85	391.418	7	↓ MOL2 SDF SMILES Flexibase

57994728

Analogs

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Popular Name: 4-cyano-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1-carbox 4-cyano-N-[3-(3-oxo-5,6,7,8-tetr…

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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)	0.92	7.38	-21.57	1	8	0	96	332.408	4	↓ MOL2 SDF SMILES Flexibase

57997388

Analogs

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Popular Name: 1-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyri 1-(1-isopropylpyrazolo[3,4-b]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)	1.00	7.24	-20.43	2	10	0	112	398.471	6	↓ MOL2 SDF SMILES Flexibase

58308226

Analogs

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Popular Name: 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]py 1-[4-(1,1-dioxo-1,2-thiazolidin-…

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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)	0.87	4.99	-27.95	2	10	0	118	434.522	6	↓ MOL2 SDF SMILES Flexibase

58326217

Analogs

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Popular Name: 1-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3-[3-(2-pyridylmethoxy)phe 1-[3-(3-oxo-5,6,7,8-tetrahydro-[…

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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)	1.72	8.09	-19.5	2	9	0	103	422.489	8	↓ MOL2 SDF SMILES Flexibase

68900528

Analogs

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Popular Name: 2-[(2R)-2-amino-2-cyclopropyl-ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[(2R)-2-amino-2-cyclopropyl-et…

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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)	-0.41	4.61	-33.56	3	5	1	67	223.3	3	↓ MOL2 SDF SMILES Flexibase

68900535

Analogs

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Popular Name: 2-[(2S)-2-amino-2-cyclopropyl-ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[(2S)-2-amino-2-cyclopropyl-et…

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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)	-0.41	5.29	-39.41	3	5	1	67	223.3	3	↓ MOL2 SDF SMILES Flexibase

68900786

Analogs

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Popular Name: 2-(2-cyclopropyl-2-oxo-ethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-(2-cyclopropyl-2-oxo-ethyl)-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)	-0.10	6.77	-16.47	0	5	0	57	221.26	3	↓ MOL2 SDF SMILES Flexibase

68910334

Analogs

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Popular Name: 2-[(2R)-2-cyclopropyl-2-hydroxy-ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[(2R)-2-cyclopropyl-2-hydroxy-…

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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)	0.08	4.02	-11.02	1	5	0	60	223.276	3	↓ MOL2 SDF SMILES Flexibase

68910337

Analogs

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Popular Name: 2-[(2S)-2-cyclopropyl-2-hydroxy-ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[(2S)-2-cyclopropyl-2-hydroxy-…

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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)	0.08	4.31	-11.86	1	5	0	60	223.276	3	↓ MOL2 SDF SMILES Flexibase

62767995

Analogs

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Popular Name: 2-[2-(tetrahydropyran-4-ylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[2-(tetrahydropyran-4-ylamino)…

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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)	0.02	5.14	-43.95	2	6	1	66	267.353	4	↓ MOL2 SDF SMILES Flexibase

69078914

Analogs

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Popular Name: 2-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[(2R)-2-cyclopropyl-2-(methyla…

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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)	0.50	6.02	-30.19	2	5	1	56	237.327	4	↓ MOL2 SDF SMILES Flexibase

69078916

Analogs

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Popular Name: 2-[(2S)-2-cyclopropyl-2-(methylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[(2S)-2-cyclopropyl-2-(methyla…

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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)	0.50	6.65	-35.26	2	5	1	56	237.327	4	↓ MOL2 SDF SMILES Flexibase

69078920

Analogs

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Popular Name: 2-[(2R)-2-cyclopropyl-2-(ethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[(2R)-2-cyclopropyl-2-(ethylam…

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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	6.9	-29.54	2	5	1	56	251.354	5	↓ MOL2 SDF SMILES Flexibase

69078924

Analogs

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Popular Name: 2-[(2S)-2-cyclopropyl-2-(ethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[(2S)-2-cyclopropyl-2-(ethylam…

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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	7.61	-34.42	2	5	1	56	251.354	5	↓ MOL2 SDF SMILES Flexibase

69078937

Analogs

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Popular Name: 2-[(2R)-2-cyclopropyl-2-(propylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[(2R)-2-cyclopropyl-2-(propyla…

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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	7.66	-29.66	2	5	1	56	265.381	6	↓ MOL2 SDF SMILES Flexibase

69078940

Analogs

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Popular Name: 2-[(2S)-2-cyclopropyl-2-(propylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[(2S)-2-cyclopropyl-2-(propyla…

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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	8.36	-34.79	2	5	1	56	265.381	6	↓ MOL2 SDF SMILES Flexibase

69491059

Analogs

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Popular Name: 1-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]p 1-[3-(4-ethyl-6-oxo-1H-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)	1.89	7.78	-24.81	3	10	0	127	437.504	7	↓ MOL2 SDF SMILES Flexibase

65495433

Analogs

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Popular Name: 1-[(1S)-1-(3,4-dichlorophenyl)ethyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2- 1-[(1S)-1-(3,4-dichlorophenyl)et…

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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)	4.48	12.4	-15.43	1	7	0	72	454.402	8	↓ MOL2 SDF SMILES Flexibase

65495439

Analogs

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Popular Name: 1-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2- 1-[(1R)-1-(3,4-dichlorophenyl)et…

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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)	4.48	12	-17.36	1	7	0	72	454.402	8	↓ MOL2 SDF SMILES Flexibase

69699454

Analogs

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Popular Name: N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-[(3R)-tetrahydrofuran-3- N-[3-(3-oxo-5,6,7,8-tetrahydro-[…

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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)	-0.22	3.08	-19.37	1	8	0	95	344.437	7	↓ MOL2 SDF SMILES Flexibase

69699457

Analogs

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Popular Name: N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-[(3S)-tetrahydrofuran-3- N-[3-(3-oxo-5,6,7,8-tetrahydro-[…

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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)	-0.22	3.06	-20.31	1	8	0	95	344.437	7	↓ MOL2 SDF SMILES Flexibase

69703790

Analogs

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Popular Name: 1-ethyl-1-isopropyl-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea 1-ethyl-1-isopropyl-3-[3-(3-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	7.35	-16.46	1	7	0	72	309.414	6	↓ MOL2 SDF SMILES Flexibase

65542545

Analogs

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Popular Name: (2R)-2-ethyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]morpholine-4-c (2R)-2-ethyl-N-[3-(3-oxo-5,6,7,8…

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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	6.24	-16.73	1	8	0	81	337.424	5	↓ MOL2 SDF SMILES Flexibase

65542548

Analogs

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Popular Name: (2S)-2-ethyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]morpholine-4-c (2S)-2-ethyl-N-[3-(3-oxo-5,6,7,8…

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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	6.24	-16.66	1	8	0	81	337.424	5	↓ MOL2 SDF SMILES Flexibase

69907398

Analogs

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Popular Name: 2-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]prop-2-enoic 2-[(3-oxo-5,6,7,8-tetrahydro-[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)	-0.31	6.76	-64.62	0	6	-1	80	222.224	3	↓ MOL2 SDF SMILES Flexibase

69924405

Analogs

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Popular Name: N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-(thiazol-4-ylmethylsulfa N-[3-(3-oxo-5,6,7,8-tetrahydro-[…

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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)	2.10	9.16	-21.87	1	7	0	82	429.571	8	↓ MOL2 SDF SMILES Flexibase

69926295

Analogs

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Popular Name: 2-[(4-fluorophenyl)methoxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl 2-[(4-fluorophenyl)methoxy]-N-[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)	3.26	11.87	-20.89	1	7	0	78	424.476	8	↓ MOL2 SDF SMILES Flexibase

69950923

Analogs

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Popular Name: 2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2 2-[(4S)-4-(4-fluorophenyl)-4-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.79	7.05	-23.38	2	10	0	118	444.467	7	↓ MOL2 SDF SMILES Flexibase

69950924

Analogs

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Popular Name: 2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2 2-[(4R)-4-(4-fluorophenyl)-4-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.79	7.06	-22.28	2	10	0	118	444.467	7	↓ MOL2 SDF SMILES Flexibase

40549165

Analogs

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Popular Name: 1-cyclopentyl-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea 1-cyclopentyl-3-[3-(3-oxo-5,6,7,…

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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)	0.96	5.83	-16.2	2	7	0	81	307.398	5	↓ MOL2 SDF SMILES Flexibase

40554060

Analogs

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Popular Name: 1-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3-phenyl-urea 1-[3-(3-oxo-5,6,7,8-tetrahydro-[…

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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)	1.26	6.5	-17.4	2	7	0	81	315.377	5	↓ MOL2 SDF SMILES Flexibase

40554061

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Popular Name: N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]indoline-1-carboxamide N-[3-(3-oxo-5,6,7,8-tetrahydro-[…

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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	8.86	-19.37	1	7	0	72	341.415	4	↓ MOL2 SDF SMILES Flexibase

40554062

Analogs

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Popular Name: 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl 1-(5-methyl-1,3,4-thiadiazol-2-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)	-0.31	4.74	-25.22	2	9	0	107	337.409	5	↓ MOL2 SDF SMILES Flexibase

70006952

Analogs

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Popular Name: 3-[(4-fluorophenyl)methoxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl 3-[(4-fluorophenyl)methoxy]-N-[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)	2.74	10.61	-20.7	1	7	0	78	424.476	8	↓ MOL2 SDF SMILES Flexibase

67460097

Analogs

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Popular Name: (6S)-2-methyl-6-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazo (6S)-2-methyl-6-[4-(4-phenyl-1H-…

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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)	1.65	9.56	-21.62	1	8	0	89	406.49	3	↓ MOL2 SDF SMILES Flexibase

67460100

Analogs

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Popular Name: (6R)-2-methyl-6-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazo (6R)-2-methyl-6-[4-(4-phenyl-1H-…

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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)	1.65	9.55	-17.44	1	8	0	89	406.49	3	↓ MOL2 SDF SMILES Flexibase

48794250

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Popular Name: N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide N-[3-(3-oxo-5,6,7,8-tetrahydro-[…

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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)	-0.72	4.16	-16.09	1	6	0	69	238.291	4	↓ MOL2 SDF SMILES Flexibase

48794253

Analogs

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Popular Name: 2-methoxy-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide 2-methoxy-N-[3-(3-oxo-5,6,7,8-te…

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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)	-0.78	4.33	-18.62	1	7	0	78	268.317	6	↓ MOL2 SDF SMILES Flexibase

48794255

Analogs

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Popular Name: (1S,2R)-2-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]cyclopropa (1S,2R)-2-methyl-N-[3-(3-oxo-5,6…

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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)	0.71	6.46	-14.81	1	6	0	69	278.356	5	↓ MOL2 SDF SMILES Flexibase

48794257

Analogs

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Popular Name: (1S,2S)-2-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]cyclopropa (1S,2S)-2-methyl-N-[3-(3-oxo-5,6…

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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)	0.71	6.41	-15.47	1	6	0	69	278.356	5	↓ MOL2 SDF SMILES Flexibase

48794259

Analogs

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Popular Name: (1R,2R)-2-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]cyclopropa (1R,2R)-2-methyl-N-[3-(3-oxo-5,6…

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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)	0.71	6.41	-15.45	1	6	0	69	278.356	5	↓ MOL2 SDF SMILES Flexibase

48794261

Analogs

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Popular Name: (1R,2S)-2-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]cyclopropa (1R,2S)-2-methyl-N-[3-(3-oxo-5,6…

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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)	0.71	6.46	-14.88	1	6	0	69	278.356	5	↓ MOL2 SDF SMILES Flexibase

48959269

Analogs

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Popular Name: N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propane-1-sulfonamide N-[3-(3-oxo-5,6,7,8-tetrahydro-[…

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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	3.63	-18.26	1	7	0	86	302.4	7	↓ MOL2 SDF SMILES Flexibase

67741039

Analogs

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Popular Name: 1-isopentyl-5-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]-6,7 1-isopentyl-5-[(6R)-2-methyl-3-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)	0.83	9.34	-73.24	0	10	-1	118	415.474	5	↓ MOL2 SDF SMILES Flexibase

67741040

Analogs

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Popular Name: 1-isopentyl-5-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]-6,7 1-isopentyl-5-[(6S)-2-methyl-3-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)	0.83	9.21	-66.5	0	10	-1	118	415.474	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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