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ZINC Item

Suppliers, Protomers, & Similar Substances

8980521

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	2.35	0.93	-11.45	1	7	0	86	350.378	6	↓ MOL2 SDF SMILES Flexibase

13256756

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-chlorophenyl)-3-[[2-(3-chlorophenyl)-5-methyl-triazole-4-carbonyl]amino]propanoic (3S)-3-(4-chlorophenyl)-3-[[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)	2.52	8.97	-49.33	1	7	-1	100	418.26	6	↓ MOL2 SDF SMILES Flexibase

13256757

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-chlorophenyl)-3-[[2-(3-chlorophenyl)-5-methyl-triazole-4-carbonyl]amino]propanoic (3R)-3-(4-chlorophenyl)-3-[[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)	2.52	8.26	-49.95	1	7	-1	100	418.26	6	↓ MOL2 SDF SMILES Flexibase

13256760

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-chlorophenyl)-3-[[2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]propanoic (3S)-3-(4-chlorophenyl)-3-[[2-(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)	2.69	10.13	-51.44	1	7	-1	100	411.869	6	↓ MOL2 SDF SMILES Flexibase

13256761

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-chlorophenyl)-3-[[2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]propanoic (3R)-3-(4-chlorophenyl)-3-[[2-(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)	2.69	9.3	-50.08	1	7	-1	100	411.869	6	↓ MOL2 SDF SMILES Flexibase

13257114

Analogs

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Popular Name: (3R)-3-[[2-(3-chlorophenyl)-5-methyl-triazole-4-carbonyl]amino]-3-(3,4-dimethoxyphenyl)propanoic (3R)-3-[[2-(3-chlorophenyl)-5-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)	1.49	6.92	-55.38	1	9	-1	118	443.867	8	↓ MOL2 SDF SMILES Flexibase

13257115

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[2-(3-chlorophenyl)-5-methyl-triazole-4-carbonyl]amino]-3-(3,4-dimethoxyphenyl)propanoic (3S)-3-[[2-(3-chlorophenyl)-5-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)	1.49	6.97	-55.62	1	9	-1	118	443.867	8	↓ MOL2 SDF SMILES Flexibase

13257118

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(3,4-dimethoxyphenyl)-3-[[2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]propanoic (3R)-3-(3,4-dimethoxyphenyl)-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)	1.66	8.03	-56.3	1	9	-1	118	437.476	8	↓ MOL2 SDF SMILES Flexibase

13257119

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]propanoic (3S)-3-(3,4-dimethoxyphenyl)-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)	1.66	8.03	-56.35	1	9	-1	118	437.476	8	↓ MOL2 SDF SMILES Flexibase

13257693

Analogs

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Popular Name: (3S)-3-[[2-(3-chlorophenyl)-5-methyl-triazole-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic (3S)-3-[[2-(3-chlorophenyl)-5-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)	2.01	8.52	-49.43	1	7	-1	100	401.805	6	↓ MOL2 SDF SMILES Flexibase

13257694

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[2-(3-chlorophenyl)-5-methyl-triazole-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic (3R)-3-[[2-(3-chlorophenyl)-5-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)	2.01	7.81	-49.95	1	7	-1	100	401.805	6	↓ MOL2 SDF SMILES Flexibase

13257697

Analogs

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Popular Name: (3S)-3-[[2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic (3S)-3-[[2-(2,4-dimethylphenyl)-…

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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	9.68	-51.44	1	7	-1	100	395.414	6	↓ MOL2 SDF SMILES Flexibase

13257698

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic (3R)-3-[[2-(2,4-dimethylphenyl)-…

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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	8.88	-50.74	1	7	-1	100	395.414	6	↓ MOL2 SDF SMILES Flexibase

13258089

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[2-(3-chlorophenyl)-5-methyl-triazole-4-carbonyl]amino]-3-(p-tolyl)propanoic (3R)-3-[[2-(3-chlorophenyl)-5-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)	2.29	8.42	-53.34	1	7	-1	100	397.842	6	↓ MOL2 SDF SMILES Flexibase

13258090

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[2-(3-chlorophenyl)-5-methyl-triazole-4-carbonyl]amino]-3-(p-tolyl)propanoic (3S)-3-[[2-(3-chlorophenyl)-5-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)	2.29	8.39	-53.6	1	7	-1	100	397.842	6	↓ MOL2 SDF SMILES Flexibase

13258093

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]-3-(p-tolyl)propanoic (3R)-3-[[2-(2,4-dimethylphenyl)-…

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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)	2.46	9.46	-53.8	1	7	-1	100	391.451	6	↓ MOL2 SDF SMILES Flexibase

13258094

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]-3-(p-tolyl)propanoic (3S)-3-[[2-(2,4-dimethylphenyl)-…

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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)	2.46	9.46	-54.27	1	7	-1	100	391.451	6	↓ MOL2 SDF SMILES Flexibase

13259033

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(2-chlorophenyl)-3-[[2-(3-chlorophenyl)-5-methyl-triazole-4-carbonyl]amino]propanoic (3S)-3-(2-chlorophenyl)-3-[[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)	2.47	9	-53.12	1	7	-1	100	418.26	6	↓ MOL2 SDF SMILES Flexibase

13259034

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(2-chlorophenyl)-3-[[2-(3-chlorophenyl)-5-methyl-triazole-4-carbonyl]amino]propanoic (3R)-3-(2-chlorophenyl)-3-[[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)	2.47	8.71	-49.54	1	7	-1	100	418.26	6	↓ MOL2 SDF SMILES Flexibase

13259037

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(2-chlorophenyl)-3-[[2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]propanoic (3S)-3-(2-chlorophenyl)-3-[[2-(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)	2.64	10.19	-55.11	1	7	-1	100	411.869	6	↓ MOL2 SDF SMILES Flexibase

13259038

Analogs

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Popular Name: (3R)-3-(2-chlorophenyl)-3-[[2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]propanoic (3R)-3-(2-chlorophenyl)-3-[[2-(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)	2.64	9.81	-52.25	1	7	-1	100	411.869	6	↓ MOL2 SDF SMILES Flexibase

23040618

Analogs

8367280

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-phenyl-triazole-4-carboxamide N-[(2,4-dimethylphenyl)methyl]-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)	3.03	10.48	-9.57	0	5	0	51	320.396	4	↓ MOL2 SDF SMILES Flexibase

13427195

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[2-(3-chlorophenyl)-5-methyl-triazole-4-carbonyl]amino]-3-(4-methoxyphenyl)propanoic (3R)-3-[[2-(3-chlorophenyl)-5-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)	1.90	7.04	-53.71	1	8	-1	109	413.841	7	↓ MOL2 SDF SMILES Flexibase

13427196

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[2-(3-chlorophenyl)-5-methyl-triazole-4-carbonyl]amino]-3-(4-methoxyphenyl)propanoic (3S)-3-[[2-(3-chlorophenyl)-5-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)	1.90	7.01	-53.66	1	8	-1	109	413.841	7	↓ MOL2 SDF SMILES Flexibase

13427200

Analogs

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Popular Name: (3R)-3-[[2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]-3-(4-methoxyphenyl)propanoic (3R)-3-[[2-(2,4-dimethylphenyl)-…

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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)	2.07	8.08	-53.98	1	8	-1	109	407.45	7	↓ MOL2 SDF SMILES Flexibase

13427201

Analogs

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Popular Name: (3S)-3-[[2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]-3-(4-methoxyphenyl)propanoic (3S)-3-[[2-(2,4-dimethylphenyl)-…

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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)	2.07	8.09	-54.38	1	8	-1	109	407.45	7	↓ MOL2 SDF SMILES Flexibase

13427788

Analogs

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Popular Name: (3S)-3-[[2-(3-chlorophenyl)-5-methyl-triazole-4-carbonyl]amino]-3-phenyl-propanoic (3S)-3-[[2-(3-chlorophenyl)-5-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)	1.84	7.71	-53.18	1	7	-1	100	383.815	6	↓ MOL2 SDF SMILES Flexibase

13427789

Analogs

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Popular Name: (3R)-3-[[2-(3-chlorophenyl)-5-methyl-triazole-4-carbonyl]amino]-3-phenyl-propanoic (3R)-3-[[2-(3-chlorophenyl)-5-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)	1.84	8.53	-51.7	1	7	-1	100	383.815	6	↓ MOL2 SDF SMILES Flexibase

13427792

Analogs

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Popular Name: (3S)-3-[[2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]-3-phenyl-propanoic (3S)-3-[[2-(2,4-dimethylphenyl)-…

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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)	2.01	8.79	-53.87	1	7	-1	100	377.424	6	↓ MOL2 SDF SMILES Flexibase

13427793

Analogs

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Popular Name: (3R)-3-[[2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]-3-phenyl-propanoic (3R)-3-[[2-(2,4-dimethylphenyl)-…

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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)	2.01	9.73	-54.01	1	7	-1	100	377.424	6	↓ MOL2 SDF SMILES Flexibase

14247329

Analogs

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Popular Name: 2-(2,4-dimethylphenyl)-N,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]triazole-4-carboxamide 2-(2,4-dimethylphenyl)-N,5-dimet…

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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	9.1	-13.72	1	7	0	80	391.475	5	↓ MOL2 SDF SMILES Flexibase

14575252

Analogs

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Popular Name: N-[(1R)-1-(3,4-difluorophenyl)ethyl]-5-methyl-2-phenyl-triazole-4-carboxamide N-[(1R)-1-(3,4-difluorophenyl)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)	2.99	7.81	-9.81	1	5	0	60	342.349	4	↓ MOL2 SDF SMILES Flexibase

14575253

Analogs

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Popular Name: N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methyl-2-phenyl-triazole-4-carboxamide N-[(1S)-1-(3,4-difluorophenyl)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)	2.99	7.81	-9.78	1	5	0	60	342.349	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 6327
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 6327 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=6327&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "6327"        

    });
</script>

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