UCSF

ZINC06382287

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 29 No

Popular Name: 4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(4-hydroxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-di 4-[(2,5-dimethylphenyl)-hydroxy-…

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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) 2.98 7.36 -61.54 1 6 -1 90 394.447 7 ↓
Mid Mid (pH 6-8) 2.98 -1.3 -13.69 2 6 0 87 395.455 7 ↓
Mid Mid (pH 6-8) 2.40 -1.43 -22.96 1 6 0 83 395.455 7 ↓

Activity (Go SEA)

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