UCSF

ZINC09436888

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 36 No

Popular Name: 4-[hydroxy-(4-isobutoxyphenyl)-methylene]-1-(2-methoxyethyl)-5-(3,4,5-trimethoxyphenyl)-pyrrolidine- 4-[hydroxy-(4-isobutoxyphenyl)-m…

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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) 3.17 8.32 -59.4 0 9 -1 107 498.552 12 ↓
Mid Mid (pH 6-8) 3.62 8.44 -16.79 1 9 0 104 499.56 11 ↓
Mid Mid (pH 6-8) 2.59 8.75 -16.34 0 9 0 101 499.56 12 ↓

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