UCSF

ZINC08902031

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 37 No

Popular Name: 4-[(4-ethoxyphenyl)-hydroxy-methylene]-1-(3-pyridylmethyl)-5-(3,4,5-trimethoxyphenyl)-pyrrolidine-2, 4-[(4-ethoxyphenyl)-hydroxy-meth…

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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) 2.60 9.22 -61.86 0 9 -1 110 503.531 10 ↓
Mid Mid (pH 6-8) 3.05 8.26 -16.54 1 9 0 107 504.539 9 ↓
Lo Low (pH 4.5-6) 3.05 8.54 -44.38 2 9 1 109 505.547 9 ↓

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