UCSF

ZINC20112047

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 33 Yes

Popular Name: (3S,3aR,8aR,9aR)-3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9 (3S,3aR,8aR,9aR)-3-[[4-(1,3-benz…

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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) 3.48 11.96 -44.46 1 6 1 52 451.587 4 ↓
Mid Mid (pH 6-8) 3.48 12.06 -47.15 1 6 1 52 451.587 4 ↓
Mid Mid (pH 6-8) 3.48 9.74 -10.74 0 6 0 51 450.579 4 ↓

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

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