UCSF

ZINC65492366

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 29 Yes

Popular Name: [(3aS,4S,6R,6aR)-2,6-dimethyl-4-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]-1,3,3a,4,5,6a-hexahydropyrrolo[ [(3aS,4S,6R,6aR)-2,6-dimethyl-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) 2.01 5.78 -41.22 3 6 1 67 390.511 4 ↓
Hi High (pH 8-9.5) 2.01 3.09 -9.73 2 6 0 66 389.503 4 ↓
Lo Low (pH 4.5-6) 2.01 6.23 -89.92 4 6 2 69 391.519 4 ↓

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

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