UCSF

ZINC67954947

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 25 Yes

Popular Name: 3-[2-(5-chloro-1H-benzimidazol-2-yl)acetyl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[2-(5-chloro-1H-benzimidazol-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.93 2.02 -22.59 3 7 0 90 361.833 2 ↓
Mid Mid (pH 6-8) 0.93 3.17 -68.94 4 7 1 95 362.841 2 ↓
Lo Low (pH 4.5-6) 0.93 3.38 -101.89 5 7 2 96 363.849 2 ↓

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

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