UCSF

ZINC40102241

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 32 No

Popular Name: (2S)-3-(3-allyloxybenzoyl)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-hydroxy-1-(2-hydroxyethyl)-2H-py (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) 2.73 3.68 -68.78 2 8 -1 119 503.325 9 ↓
Hi High (pH 8-9.5) 2.73 4.6 -125.46 1 8 -2 122 502.317 9 ↓
Lo Low (pH 4.5-6) 2.73 2.93 -22.89 3 8 0 117 504.333 9 ↓

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