UCSF

ZINC33923180

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 32 No

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

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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) 0.36 11.54 -75.98 2 9 -1 143 508.345 6 ↓
Hi High (pH 8-9.5) 0.36 11.21 -132.75 1 9 -2 139 507.337 6 ↓
Mid Mid (pH 6-8) 0.36 9.55 -44.91 3 9 0 141 509.353 6 ↓

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