UCSF

ZINC65507431

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 26 No

Popular Name: (3aR)-N-[[(2R)-5-chloro-2H-benzimidazol-2-yl]methyl]-N,5-dimethyl-1,3a,4,6,7,8-hexahydropyrazolo[1,5 (3aR)-N-[[(2R)-5-chloro-2H-benzi…

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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) 2.20 7.01 -173.46 4 7 3 68 377.9 3 ↓
Mid Mid (pH 6-8) 2.20 5.92 -113.09 3 7 2 67 376.892 3 ↓

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

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