UCSF

ZINC33931441

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 36 No

Popular Name: (3aS,4S,6R,6aR)-6-(carboxymethyl)-2-(2,6-diethylphenyl)-4-(2-hydroxy-3-methoxy-phenyl)-1,3-dioxo-3a, (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) 0.63 11.03 -73.46 3 10 -1 164 495.508 8 ↓
Hi High (pH 8-9.5) 0.63 11.22 -114.12 2 10 -2 167 494.5 8 ↓
Hi High (pH 8-9.5) 0.63 9.5 -136.55 2 10 -2 159 494.5 8 ↓
Mid Mid (pH 6-8) 0.63 9.06 -34.45 4 10 0 161 496.516 8 ↓
Lo Low (pH 4.5-6) 0.63 8.51 -37.03 4 10 0 161 496.516 8 ↓

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