UCSF

ZINC57980174

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 28 Yes

Popular Name: (2S)-2-(5-methyl-1H-benzimidazol-2-yl)-N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)pyrrol (2S)-2-(5-methyl-1H-benzimidazol…

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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) 3.07 6.66 -13.1 2 7 0 77 396.52 2 ↓
Mid Mid (pH 6-8) 3.07 9.39 -52.89 3 7 1 78 397.528 2 ↓
Mid Mid (pH 6-8) 3.07 7.08 -32.17 3 7 1 78 397.528 2 ↓
Lo Low (pH 4.5-6) 3.07 9.81 -78.79 4 7 2 80 398.536 2 ↓

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

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