UCSF

ZINC39912325

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Substance Information

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

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

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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) 6.40 13.56 -16.27 2 7 0 88 525.649 10 ↓
Hi High (pH 8-9.5) 6.17 14.11 -46.41 0 7 -1 87 524.641 10 ↓
Hi High (pH 8-9.5) 6.17 13.8 -58.15 0 7 -1 87 524.641 10 ↓
Hi High (pH 8-9.5) 6.40 14.69 -41.16 1 7 -1 91 524.641 10 ↓

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