UCSF

ZINC09411373

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Substance Information

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

Popular Name: 5-(2,5-dimethoxyphenyl)-4-[hydroxy-(4-isopropoxyphenyl)-methylene]-1-(3-methoxypropyl)pyrrolidine-2, 5-(2,5-dimethoxyphenyl)-4-[hydro…

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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) 3.47 8 -63.99 0 8 -1 97 468.526 11 ↓
Mid Mid (pH 6-8) 2.89 0.09 -14.83 0 8 0 91 469.534 11 ↓
Mid Mid (pH 6-8) 3.92 7.88 -14.19 1 8 0 95 469.534 10 ↓

Activity (Go SEA)

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