UCSF

ZINC09360764

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 36 No

Popular Name: 4-[(4-butoxyphenyl)-hydroxy-methylene]-1-(2-methoxyethyl)-5-(3,4,5-trimethoxyphenyl)-pyrrolidine-2,3 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) 3.49 8.18 -62.03 0 9 -1 107 498.552 13 ↓
Mid Mid (pH 6-8) 2.90 0.91 -13.26 0 9 0 100 499.56 13 ↓
Mid Mid (pH 6-8) 3.93 7.76 -11.56 1 9 0 104 499.56 12 ↓

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