UCSF

ZINC39911939

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Substance Information

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

Popular Name: (3aR,4R)-5-butyl-4-(3-ethoxy-4-propoxy-phenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-3a,4-dihydropyrrolo (3aR,4R)-5-butyl-4-(3-ethoxy-4-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) 5.88 11.02 -15.52 2 7 0 88 477.605 10 ↓
Hi High (pH 8-9.5) 5.65 11.35 -51.42 0 7 -1 87 476.597 10 ↓
Hi High (pH 8-9.5) 5.65 11.6 -58.84 0 7 -1 87 476.597 10 ↓
Hi High (pH 8-9.5) 5.88 11.97 -40.73 1 7 -1 91 476.597 10 ↓

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