UCSF

ZINC39911907

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Substance Information

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

Popular Name: (3aR,4R)-4-(4-butoxy-3-methoxy-phenyl)-5-butyl-3-(2-hydroxy-3,5-dimethyl-phenyl)-3a,4-dihydropyrrolo (3aR,4R)-4-(4-butoxy-3-methoxy-p…

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Vendors

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) 6.07 10.88 -15.61 2 7 0 88 477.605 10 ↓
Hi High (pH 8-9.5) 5.84 11.21 -51.55 0 7 -1 87 476.597 10 ↓
Hi High (pH 8-9.5) 5.84 11.46 -58.57 0 7 -1 87 476.597 10 ↓
Hi High (pH 8-9.5) 6.07 11.83 -40.38 1 7 -1 91 476.597 10 ↓

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