UCSF

ZINC61439605

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 21 Yes

Popular Name: 1-[2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]triazole-4-carboxylic 1-[2-[(5-methyl-1H-benzimidazol-…

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Download: MOL2 SDF SMILES Flexibase

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) 2.12 6.11 -57.26 1 7 -1 100 302.339 5 ↓
Lo Low (pH 4.5-6) 2.12 6.49 -62.67 2 7 0 101 303.347 5 ↓

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

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