UCSF

ZINC39911616

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 35 Yes

Popular Name: (3aR,4S)-4-(4-butoxy-3-methoxy-phenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-5-(2-methoxyethyl)-3a,4-dih (3aR,4S)-4-(4-butoxy-3-methoxy-p…

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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) 4.61 8.65 -17.36 2 8 0 97 479.577 10 ↓
Hi High (pH 8-9.5) 4.38 8.89 -61.96 0 8 -1 96 478.569 10 ↓
Hi High (pH 8-9.5) 4.38 9.32 -53.62 0 8 -1 96 478.569 10 ↓
Hi High (pH 8-9.5) 4.61 9.58 -46.89 1 8 -1 100 478.569 10 ↓

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