UCSF

ZINC33759464

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 37 No

Popular Name: (3aS,4S,6S,6aR)-4-(2-benzyloxy-3-methoxy-phenyl)-6-[(4-hydroxyphenyl)methyl]-1,3-dioxo-3a,4,5,6a-tet (3aS,4S,6S,6aR)-4-(2-benzyloxy-3…

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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) 0.63 8.58 -57.92 3 9 -1 137 501.515 8 ↓
Hi High (pH 8-9.5) 0.63 5.83 -44.97 4 9 0 142 502.523 8 ↓
Hi High (pH 8-9.5) 0.82 4.78 -125.07 2 9 -2 143 500.507 8 ↓
Mid Mid (pH 6-8) 0.82 4.08 -72.24 3 9 -1 148 501.515 8 ↓
Mid Mid (pH 6-8) 0.82 6.66 -101.2 3 9 -1 148 501.515 8 ↓

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