UCSF

ZINC39911947

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 37 Yes

Popular Name: (3aR,4R)-5-butyl-4-(3-ethoxy-4-pentoxy-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) 6.95 12.86 -15.12 2 7 0 88 505.659 12 ↓
Hi High (pH 8-9.5) 6.72 13.41 -45.59 0 7 -1 87 504.651 12 ↓
Hi High (pH 8-9.5) 6.72 13.11 -57.5 0 7 -1 87 504.651 12 ↓
Hi High (pH 8-9.5) 6.95 13.96 -40.39 1 7 -1 91 504.651 12 ↓

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