UCSF

ZINC39912455

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Substance Information

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

Popular Name: (3aR,4R)-4-(3-butoxyphenyl)-5-[(2-chlorophenyl)methyl]-3-(2-hydroxy-3,5-dimethyl-phenyl)-3a,4-dihydr (3aR,4R)-4-(3-butoxyphenyl)-5-[(…

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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) 7.04 13.09 -11.72 2 6 0 78 516.041 8 ↓
Hi High (pH 8-9.5) 6.81 13.65 -46.39 0 6 -1 77 515.033 8 ↓
Hi High (pH 8-9.5) 6.81 13.44 -55.46 0 6 -1 77 515.033 8 ↓
Hi High (pH 8-9.5) 7.04 14.21 -40.32 1 6 -1 81 515.033 8 ↓

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