UCSF

ZINC09411530

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 34 No

Popular Name: 4-[(4-butoxyphenyl)-hydroxy-methylene]-1-(2-diethylaminoethyl)-5-(4-hydroxyphenyl)-pyrrolidine-2,3-d 4-[(4-butoxyphenyl)-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) 4.18 9.59 -71.27 2 7 0 94 466.578 12 ↓
Hi High (pH 8-9.5) 4.18 7.3 -63.79 1 7 -1 93 465.57 12 ↓
Mid Mid (pH 6-8) 4.62 10.51 -50.18 3 7 1 92 467.586 11 ↓

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