UCSF

ZINC33916985

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 30 No

Popular Name: (3aS,4S,6R,6aR)-2-(3-chloro-4-methyl-phenyl)-6-(hydroxymethyl)-4-(o-tolyl)-1,3-dioxo-3a,4,5,6a-tetra (3aS,4S,6R,6aR)-2-(3-chloro-4-me…

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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) 0.66 8.17 -46.01 3 7 0 114 428.872 4 ↓
Hi High (pH 8-9.5) 0.66 5.91 -46.93 2 7 -1 110 427.864 4 ↓
Mid Mid (pH 6-8) 0.66 7.76 -56.76 2 7 -1 110 427.864 4 ↓

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