UCSF

ZINC33600958

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 31 No

Popular Name: (3aS,4R,6S,6aS)-2-(3-chloro-4-methyl-phenyl)-6-isopropyl-4-(o-tolyl)-1,3-dioxo-3a,4,5,6a-tetrahydrop (3aS,4R,6S,6aS)-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) 2.41 12.37 -48.48 2 6 0 94 440.927 4 ↓
Hi High (pH 8-9.5) 2.41 9.28 -50.75 1 6 -1 90 439.919 4 ↓
Mid Mid (pH 6-8) 2.41 11.2 -61.87 1 6 -1 90 439.919 4 ↓

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