UCSF

ZINC09357368

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 35 No

Popular Name: 4-[(4-butoxyphenyl)-hydroxy-methylene]-5-(2,5-dimethoxyphenyl)-1-(2-dimethylaminoethyl)pyrrolidine-2 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) 3.94 10.08 -70.38 1 8 0 93 482.577 12 ↓
Hi High (pH 8-9.5) 3.94 7.54 -62.7 0 8 -1 91 481.569 12 ↓
Mid Mid (pH 6-8) 4.39 9.78 -48.18 2 8 1 90 483.585 11 ↓

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