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)	2.78	5.8	-16.59	2	7	0	97	382.445	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.24	4.46	-46.57	1	7	-1	100	381.437	6	↓ MOL2 SDF SMILES Flexibase

17975573

Analogs

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Popular Name: (2R)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfa (2R)-N-(3-cyano-4,5,6,7-tetrahyd…

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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)	2.09	5.84	-12.82	2	7	0	112	375.479	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.55	4.1	-42.89	1	7	-1	115	374.471	4	↓ MOL2 SDF SMILES Flexibase

17975576

Analogs

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Popular Name: (2S)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfa (2S)-N-(3-cyano-4,5,6,7-tetrahyd…

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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)	2.09	5.83	-12.85	2	7	0	112	375.479	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.55	4.1	-42.86	1	7	-1	115	374.471	4	↓ MOL2 SDF SMILES Flexibase

36107536

Analogs

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Popular Name: 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methyleneamino] 2-[(3,5-dioxo-2H-1,2,4-triazin-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)	0.50	-2.16	-51.61	3	13	-1	198	395.333	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.50	-1.1	-94.92	2	13	-2	201	394.325	7	↓ MOL2 SDF SMILES Flexibase

36108835

Analogs

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Popular Name: 3,5-dioxo-2H-1,2,4-triazine-6-sulfonic 3,5-dioxo-2H-1,2,4-triazine-6-su…

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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)	-3.48	-8.26	-92.22	1	8	-2	139	191.124	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-3.93	-6.76	-37.74	2	8	-1	136	192.132	1	↓ MOL2 SDF SMILES Flexibase

11990303

Analogs

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Popular Name: 3-(isobutylamino)-6-methyl-4H-1,2,4-triazin-5-one 3-(isobutylamino)-6-methyl-4H-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)	0.67	-1	-7.7	2	5	0	71	182.227	3	↓ MOL2 SDF SMILES Flexibase

11990413

Analogs

8717784

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Popular Name: 3-[(N'E)-N'-[[4-[(5S)-3,5-diphenyl-4,5-dihydropyrazol-1-yl]phenyl]methylene]hydrazino]-6-methyl-4H-1 3-[(N'E)-N'-[[4-[(5S)-3,5-diphen…

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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)	4.30	0.01	-17.58	2	8	0	99	449.518	6	↓ MOL2 SDF SMILES Flexibase

11990559

Analogs

1282225

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Popular Name: 2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamide 2-[(5-oxo-6-phenyl-4H-1,2,4-tria…

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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)	2.80	-1.97	-11.47	2	6	0	88	366.446	6	↓ MOL2 SDF SMILES Flexibase

11990560

Analogs

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Popular Name: N-(2-furylmethyl)-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide N-(2-furylmethyl)-2-[(5-oxo-6-ph…

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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	-2.21	-11.98	2	7	0	101	342.38	6	↓ MOL2 SDF SMILES Flexibase

11990561

Analogs

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Popular Name: N-(3-acetylphenyl)-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide N-(3-acetylphenyl)-2-[(5-oxo-6-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)	2.41	-1.53	-20.11	2	7	0	105	380.429	6	↓ MOL2 SDF SMILES Flexibase

11990562

Analogs

5045317

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Popular Name: N-(4-tert-butylphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide N-(4-tert-butylphenyl)-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)	2.16	-1.12	-11.08	2	6	0	88	318.402	5	↓ MOL2 SDF SMILES Flexibase

11990563

Analogs

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Popular Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide N-(2-chloro-4,6-dimethyl-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.88	-1.32	-11.43	2	6	0	88	324.793	4	↓ MOL2 SDF SMILES Flexibase

11990573

Analogs

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Popular Name: 3-(1,3-benzodioxol-5-ylmethylamino)-4H-1,2,4-triazin-5-one 3-(1,3-benzodioxol-5-ylmethylami…

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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	3.16	-11.64	2	7	0	89	246.226	3	↓ MOL2 SDF SMILES Flexibase

11990575

Analogs

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Popular Name: 3-[2-(1H-benzimidazol-2-yl)ethylamino]-4H-1,2,4-triazin-5-one 3-[2-(1H-benzimidazol-2-yl)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)	0.31	-3.84	-17.22	3	7	0	99	256.269	4	↓ MOL2 SDF SMILES Flexibase

11990954

Analogs

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Popular Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide N-(4-chloro-2-methoxy-5-methyl-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)	3.58	-1.62	-11.51	2	7	0	97	416.89	6	↓ MOL2 SDF SMILES Flexibase

11990956

Analogs

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Popular Name: N-(3,4-dimethoxyphenyl)-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide N-(3,4-dimethoxyphenyl)-2-[(5-ox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.19	-1.59	-15.72	2	8	0	106	398.444	7	↓ MOL2 SDF SMILES Flexibase

11990957

Analogs

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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)	2.26	-2.24	-15.11	2	9	0	127	431.499	8	↓ MOL2 SDF SMILES Flexibase

11990958

Analogs

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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)	3.63	-1.85	-14.2	2	8	0	114	470.576	8	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	4.09	7.72	-49.47	1	8	-1	117	469.568	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.63	8.94	-16.26	2	8	0	114	470.576	8	↓ MOL2 SDF SMILES Flexibase

11990961

Analogs

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Popular Name: 3-[(4-fluorophenyl)methylsulfanyl]-6-phenyl-4H-1,2,4-triazin-5-one 3-[(4-fluorophenyl)methylsulfany…

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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)	3.49	0.22	-9.06	1	4	0	59	313.357	4	↓ MOL2 SDF SMILES Flexibase

11991082

Analogs

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Popular Name: 3-[(3-hydroxyphenyl)amino]-4H-1,2,4-triazin-5-one 3-[(3-hydroxyphenyl)amino]-4H-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)	0.54	-2.65	-11.64	3	6	0	91	204.189	2	↓ MOL2 SDF SMILES Flexibase

11991084

Analogs

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Popular Name: 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide 2-[(4-amino-6-methyl-5-oxo-1,2,4…

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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)	-2.04	-3.4	-17.9	3	10	0	134	282.289	4	↓ MOL2 SDF SMILES Flexibase

11991539

Analogs

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Popular Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]-4H-1,2,4-triazin-5-one 3-[4-(2-methoxyphenyl)piperazin-…

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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	-3.72	-8.72	1	7	0	74	287.323	3	↓ MOL2 SDF SMILES Flexibase

11991555

Analogs

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Popular Name: : 3-(3-Imidazol-1-yl-propylamino)-[1,2,4]triazin-5-ol : 3-(3-Imidazol-1-yl-propylamino…

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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)	-1.14	2.78	-30.72	2	7	0	88	220.236	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.68	2.66	-44.3	1	7	-1	92	219.228	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.14	3.26	-62.05	3	7	1	90	221.244	5	↓ MOL2 SDF SMILES Flexibase

12233451

Analogs

12233485

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Popular Name: 4-oxo-8-phenyl-N-propyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide 4-oxo-8-phenyl-N-propyl-6,7-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)	1.50	-0.06	-17.14	1	7	0	80	299.334	4	↓ MOL2 SDF SMILES Flexibase

12233454

Analogs

12233615

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Popular Name: N-butyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-butyl-4-oxo-8-phenyl-6,7-dihyd…

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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)	2.06	0.06	-16.99	1	7	0	80	313.361	5	↓ MOL2 SDF SMILES Flexibase

12233456

Analogs

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Popular Name: N-isobutyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-isobutyl-4-oxo-8-phenyl-6,7-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)	1.75	0.44	-16.91	1	7	0	80	313.361	4	↓ MOL2 SDF SMILES Flexibase

12233460

Analogs

12233462

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Popular Name: 4-oxo-8-phenyl-N-sec-butyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide 4-oxo-8-phenyl-N-sec-butyl-6,7-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)	1.83	0.74	-17.3	1	7	0	80	313.361	4	↓ MOL2 SDF SMILES Flexibase

12233462

Analogs

12233460

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Popular Name: 4-oxo-8-phenyl-N-sec-butyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide 4-oxo-8-phenyl-N-sec-butyl-6,7-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)	1.83	0.74	-17.32	1	7	0	80	313.361	4	↓ MOL2 SDF SMILES Flexibase

12233466

Analogs

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Popular Name: N-allyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-allyl-4-oxo-8-phenyl-6,7-dihyd…

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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)	1.27	0.3	-17.04	1	7	0	80	297.318	4	↓ MOL2 SDF SMILES Flexibase

12233468

Analogs

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Popular Name: N-isopentyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-isopentyl-4-oxo-8-phenyl-6,7-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)	2.28	0.37	-16.98	1	7	0	80	327.388	5	↓ MOL2 SDF SMILES Flexibase

12233471

Analogs

12233500

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Popular Name: N-(2-methoxyethyl)-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(2-methoxyethyl)-4-oxo-8-pheny…

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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)	0.61	-0.8	-18.3	1	8	0	89	315.333	5	↓ MOL2 SDF SMILES Flexibase

12233474

Analogs

12233504

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Popular Name: N-(3-methoxypropyl)-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(3-methoxypropyl)-4-oxo-8-phen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.88	-0.74	-17.68	1	8	0	89	329.36	6	↓ MOL2 SDF SMILES Flexibase

12233478

Analogs

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Popular Name: N-(3-isopropoxypropyl)-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(3-isopropoxypropyl)-4-oxo-8-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)	1.62	-0.5	-17.48	1	8	0	89	357.414	7	↓ MOL2 SDF SMILES Flexibase

12233481

Analogs

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Popular Name: N-(2-hydroxyethyl)-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(2-hydroxyethyl)-4-oxo-8-pheny…

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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)	-0.01	-3.03	-19.64	2	8	0	100	301.306	4	↓ MOL2 SDF SMILES Flexibase

12233485

Analogs

12233451

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Popular Name: N-(3-hydroxypropyl)-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(3-hydroxypropyl)-4-oxo-8-phen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.26	-2.97	-18.45	2	8	0	100	315.333	5	↓ MOL2 SDF SMILES Flexibase

12233489

Analogs

12233492

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Popular Name: N-[(2R)-2-hydroxypropyl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-[(2R)-2-hydroxypropyl]-4-oxo-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)	0.36	-2.73	-17.83	2	8	0	100	315.333	4	↓ MOL2 SDF SMILES Flexibase

12233492

Analogs

12233489

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Popular Name: N-[(2S)-2-hydroxypropyl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-[(2S)-2-hydroxypropyl]-4-oxo-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)	0.36	-2.8	-17.9	2	8	0	100	315.333	4	↓ MOL2 SDF SMILES Flexibase

12233496

Analogs

12233498

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Popular Name: N-[(1S)-1-(hydroxymethyl)propyl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxami N-[(1S)-1-(hydroxymethyl)propyl]…

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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)	0.86	-2.43	-18.03	2	8	0	100	329.36	5	↓ MOL2 SDF SMILES Flexibase

12233498

Analogs

12233496

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Popular Name: N-[(1R)-1-(hydroxymethyl)propyl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxami N-[(1R)-1-(hydroxymethyl)propyl]…

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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)	0.86	-2.01	-17.77	2	8	0	100	329.36	5	↓ MOL2 SDF SMILES Flexibase

12233500

Analogs

12233471

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Popular Name: N-[2-(2-hydroxyethoxy)ethyl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-[2-(2-hydroxyethoxy)ethyl]-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)	-0.12	-3.62	-21.18	2	9	0	110	345.359	7	↓ MOL2 SDF SMILES Flexibase

12233504

Analogs

12233474

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Popular Name: N-(3-ethoxypropyl)-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(3-ethoxypropyl)-4-oxo-8-pheny…

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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	-0.76	-17.6	1	8	0	89	343.387	7	↓ MOL2 SDF SMILES Flexibase

12233507

Analogs

12233509

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Popular Name: N-(2-dimethylaminoethyl)-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(2-dimethylaminoethyl)-4-oxo-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)	0.66	0.38	-47.53	2	8	1	85	329.384	5	↓ MOL2 SDF SMILES Flexibase

12233509

Analogs

12233507

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Popular Name: N-(2-diethylaminoethyl)-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(2-diethylaminoethyl)-4-oxo-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)	1.41	0.74	-45.38	2	8	1	85	357.438	7	↓ MOL2 SDF SMILES Flexibase

12233512

Analogs

12233514

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Popular Name: N-(3-dimethylaminopropyl)-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(3-dimethylaminopropyl)-4-oxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.93	0.51	-49.04	2	8	1	85	343.411	6	↓ MOL2 SDF SMILES Flexibase

12233514

Analogs

12233512

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Popular Name: N-(3-diethylaminopropyl)-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-(3-diethylaminopropyl)-4-oxo-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)	1.68	0.65	-47.47	2	8	1	85	371.465	8	↓ MOL2 SDF SMILES Flexibase

12233522

Analogs

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Popular Name: N-cyclopentyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-cyclopentyl-4-oxo-8-phenyl-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)	2.03	-0.11	-17.25	1	7	0	80	325.372	3	↓ MOL2 SDF SMILES Flexibase

12233526

Analogs

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Popular Name: N-cyclohexyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-cyclohexyl-4-oxo-8-phenyl-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)	2.53	-0.23	-17.37	1	7	0	80	339.399	3	↓ MOL2 SDF SMILES Flexibase

12233529

Analogs

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Popular Name: N-[2-(1-cyclohexenyl)ethyl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carboxamide N-[2-(1-cyclohexenyl)ethyl]-4-ox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.00	-0.02	-17.27	1	7	0	80	365.437	5	↓ MOL2 SDF SMILES Flexibase

12233530

Analogs

12233534

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Popular Name: 4-oxo-8-phenyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carb 4-oxo-8-phenyl-N-[[(2S)-tetrahyd…

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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	-1.59	-18.39	1	8	0	89	341.371	4	↓ MOL2 SDF SMILES Flexibase

12233534

Analogs

12233530

Draw Identity 99% 90% 80% 70%

Popular Name: 4-oxo-8-phenyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-6,7-dihydroimidazo[2,3-c][1,2,4]triazine-3-carb 4-oxo-8-phenyl-N-[[(2R)-tetrahyd…

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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	-1.54	-18.31	1	8	0	89	341.371	4	↓ MOL2 SDF SMILES Flexibase

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