UCSF

ZINC09436252

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Substance Information

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

Popular Name: 4-[hydroxy-(4-propoxyphenyl)-methylene]-1-(3-methoxypropyl)-5-(3,4,5-trimethoxyphenyl)-pyrrolidine-2 4-[hydroxy-(4-propoxyphenyl)-met…

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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) 3.20 8.08 -61.5 0 9 -1 107 498.552 13 ↓
Mid Mid (pH 6-8) 3.65 7.65 -13.6 1 9 0 104 499.56 12 ↓
Mid Mid (pH 6-8) 2.62 8.85 -14.95 0 9 0 101 499.56 13 ↓

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