UCSF

ZINC66639219

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 22 No

Popular Name: N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-1H-benzimidazole-5-carboxamide N-[(4-isopropyl-5-sulfanyl-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.35 6.34 -19.62 3 7 0 91 316.39 4 ↓
Mid Mid (pH 6-8) 1.08 6.14 -48.66 2 7 -1 88 315.382 4 ↓
Lo Low (pH 4.5-6) 0.35 6.83 -50 4 7 1 93 317.398 4 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.