UCSF

ZINC67240290

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 30 No

Popular Name: (3aS,4S,6S,6aR)-4-(5-bromo-2-hydroxy-phenyl)-2-(3-carboxyphenyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-p (3aS,4S,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) 0.90 8.99 -109.96 3 9 -1 154 474.243 4 ↓
Ref Reference (pH 7) 0.90 7.58 -93.39 3 9 -1 154 474.243 4 ↓
Mid Mid (pH 6-8) 0.90 7.13 -131.64 2 9 -2 150 473.235 4 ↓
Mid Mid (pH 6-8) 0.90 7.58 -110.81 2 9 -2 150 473.235 4 ↓

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Rings

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

No pre-computed analogs available. Try a structural similarity search.