UCSF

ZINC39912503

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Substance Information

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

Popular Name: (3aR,4R)-4-(4-butoxy-3-methoxy-phenyl)-5-[(4-fluorophenyl)methyl]-3-(2-hydroxy-3,5-dimethyl-phenyl)- (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) 6.19 12.7 -17.23 2 7 0 88 529.612 9 ↓
Hi High (pH 8-9.5) 5.96 13.26 -45.47 0 7 -1 87 528.604 9 ↓
Hi High (pH 8-9.5) 5.96 12.95 -58.46 0 7 -1 87 528.604 9 ↓
Hi High (pH 8-9.5) 6.19 13.84 -39.54 1 7 -1 91 528.604 9 ↓

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