UCSF

ZINC40872385

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 35 Yes

Popular Name: (2E)-5-[(3R,4S,6S,8R,9S)-3-butyl-8-(2-hydroxyethyl)-3-(4-hydroxy-4-oxo-butanoyl)oxy-9-methyl-5,7-dio (2E)-5-[(3R,4S,6S,8R,9S)-3-butyl…

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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) 3.66 11.51 -101.13 1 9 -2 145 494.581 13 ↓
Lo Low (pH 4.5-6) 3.66 9.47 -47.61 2 9 -1 142 495.589 13 ↓

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Rings

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