UCSF

ZINC33925224

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 34 No

Popular Name: (3aS,4S,6S,6aR)-2-(4-acetylphenyl)-6-(carboxymethyl)-4-(2,5-dimethylphenyl)-1,3-dioxo-3a,4,5,6a-tetr (3aS,4S,6S,6aR)-2-(4-acetylpheny…

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Vendors

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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) 0.08 12.29 -78.13 2 9 -1 151 463.466 6 ↓
Hi High (pH 8-9.5) 0.08 11.1 -133.17 1 9 -2 147 462.458 6 ↓
Mid Mid (pH 6-8) 0.08 10.28 -48.77 3 9 0 148 464.474 6 ↓
Lo Low (pH 4.5-6) 0.08 9.22 -40.13 3 9 0 148 464.474 6 ↓

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