UCSF

ZINC33934133

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 31 No

Popular Name: (3aS,4R,6S,6aR)-4-(5-bromo-2-hydroxy-phenyl)-6-(carboxymethyl)-2-cyclohexyl-1,3-dioxo-3a,4,5,6a-tetr (3aS,4R,6S,6aR)-4-(5-bromo-2-hyd…

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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) 0.29 8.58 -78.66 3 9 -1 154 494.318 5 ↓
Hi High (pH 8-9.5) 0.29 8.7 -104.06 2 9 -2 157 493.31 5 ↓
Hi High (pH 8-9.5) 0.29 7.59 -137.34 2 9 -2 150 493.31 5 ↓
Mid Mid (pH 6-8) 0.29 6.59 -51.07 4 9 0 152 495.326 5 ↓

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