UCSF

ZINC65506076

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 23 Yes

Popular Name: [(3S,4S)-4-(1,3-benzodioxol-5-yl)-3-hydroxy-1-piperidyl]-[(2R)-2H-pyrrol-2-yl]methanone [(3S,4S)-4-(1,3-benzodioxol-5-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) 1.34 1.61 -16.67 1 6 0 71 314.341 2 ↓
Mid Mid (pH 6-8) 1.34 2.51 -47.62 2 6 1 73 315.349 2 ↓

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

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