UCSF

ZINC39911648

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 39 Yes

Popular Name: (3aR,4S)-4-(4-benzyloxy-3-ethoxy-phenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-5-(2-methoxyethyl)-3a,4-d (3aR,4S)-4-(4-benzyloxy-3-ethoxy…

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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) 5.15 10.92 -18.93 2 8 0 97 527.621 10 ↓
Hi High (pH 8-9.5) 4.92 11.29 -64.23 0 8 -1 96 526.613 10 ↓
Hi High (pH 8-9.5) 4.92 11.73 -54.73 0 8 -1 96 526.613 10 ↓
Hi High (pH 8-9.5) 5.15 11.99 -48.6 1 8 -1 100 526.613 10 ↓

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