UCSF

ZINC40102401

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 33 No

Popular Name: (2S)-3-(3-allyloxybenzoyl)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-butyl-4-hydroxy-2H-pyrrol-5-one (2S)-3-(3-allyloxybenzoyl)-2-(3-…

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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) 4.80 8.17 -63.58 1 7 -1 99 515.38 10 ↓
Hi High (pH 8-9.5) 4.80 9.09 -121.43 0 7 -2 102 514.372 10 ↓
Lo Low (pH 4.5-6) 4.80 7.42 -19.64 2 7 0 96 516.388 10 ↓

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