UCSF

ZINC33918421

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Substance Information

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

Popular Name: (3aS,4S,6S,6aR)-6-(carboxymethyl)-2-(o-tolyl)-1,3-dioxo-4-(4-propoxyphenyl)-3a,4,5,6a-tetrahydropyrr (3aS,4S,6S,6aR)-6-(carboxymethyl…

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Vendors

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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) 0.69 12.95 -76.91 2 9 -1 143 465.482 8 ↓
Mid Mid (pH 6-8) 0.69 10.96 -48.7 3 9 0 141 466.49 8 ↓
Lo Low (pH 4.5-6) 0.69 9.85 -40.13 3 9 0 141 466.49 8 ↓

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