UCSF

ZINC33699325

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 34 No

Popular Name: (3aS,4S,6R,6aR)-2-tert-butyl-4-(2-hydroxy-3-methoxy-phenyl)-6-[(4-hydroxyphenyl)methyl]-1,3-dioxo-3a (3aS,4S,6R,6aR)-2-tert-butyl-4-(…

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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) 0.19 6.64 -34.07 4 9 0 144 468.506 6 ↓
Hi High (pH 8-9.5) 0.19 5.7 -61.29 3 9 -1 147 467.498 6 ↓
Hi High (pH 8-9.5) 0.19 4.79 -115.3 2 9 -2 142 466.49 6 ↓
Hi High (pH 8-9.5) 0.19 3.93 -61.73 3 9 -1 139 467.498 6 ↓
Mid Mid (pH 6-8) 0.19 5.13 -53.25 3 9 -1 139 467.498 6 ↓

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