UCSF

ZINC33918432

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 37 No

Popular Name: (3aS,4S,6S,6aR)-6-(carboxymethyl)-2-(2,6-diethylphenyl)-1,3-dioxo-4-(4-propoxyphenyl)-3a,4,5,6a-tetr (3aS,4S,6S,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) 2.02 14.75 -74.22 2 9 -1 143 507.563 10 ↓
Mid Mid (pH 6-8) 2.02 12.75 -45.42 3 9 0 141 508.571 10 ↓
Lo Low (pH 4.5-6) 2.02 12.17 -38.13 3 9 0 141 508.571 10 ↓

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