UCSF

ZINC13595754

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 39 No

Popular Name: (5S)-4-(4-benzyloxy-3-methyl-benzoyl)-1-(2-dimethylaminoethyl)-5-(3-ethoxy-4-hydroxy-phenyl)-3-hydro (5S)-4-(4-benzyloxy-3-methyl-ben…

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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) 4.15 11.97 -80.63 2 8 0 104 530.621 11 ↓
Hi High (pH 8-9.5) 4.15 9.44 -62.37 1 8 -1 102 529.613 11 ↓
Mid Mid (pH 6-8) 4.60 10.87 -65.98 3 8 1 101 531.629 10 ↓

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