UCSF

ZINC39500022

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 28 No

Popular Name: (3aS)-5-[(3-benzylimidazol-4-yl)methyl]-3-(cyclopentylmethyl)-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyri (3aS)-5-[(3-benzylimidazol-4-yl)…

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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) 3.90 13 -14.39 0 5 0 46 375.52 6 ↓
Mid Mid (pH 6-8) 3.90 13.52 -47.87 1 5 1 47 376.528 6 ↓

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

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