UCSF

ZINC33934125

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Substance Information

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

Popular Name: (3aS,4S,6R,6aR)-6-(carboxymethyl)-2-(2,6-diethylphenyl)-4-(2-hydroxyphenyl)-1,3-dioxo-3a,4,5,6a-tetr (3aS,4S,6R,6aR)-6-(carboxymethyl…

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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) 1.03 11.18 -72.09 3 9 -1 154 465.482 7 ↓
Hi High (pH 8-9.5) 1.03 11.07 -110.39 2 9 -2 157 464.474 7 ↓
Hi High (pH 8-9.5) 1.03 9.55 -133.23 2 9 -2 150 464.474 7 ↓
Mid Mid (pH 6-8) 1.03 9.21 -32.95 4 9 0 152 466.49 7 ↓
Lo Low (pH 4.5-6) 1.03 8.55 -36.01 4 9 0 152 466.49 7 ↓

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