UCSF

ZINC38591922

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 17 Yes

Popular Name: (2S)-3-methyl-2-[[(3R)-3H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-dihydrobenzimidazole (2S)-3-methyl-2-[[(3R)-3H-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) 1.68 5.79 -7.08 2 5 0 57 247.327 3 ↓
Hi High (pH 8-9.5) 1.68 5.59 -40.68 1 5 -1 55 246.319 3 ↓

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

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