UCSF

ZINC09350005

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 34 No

Popular Name: 4-[(4-butoxyphenyl)-hydroxy-methylene]-5-(4-hydroxy-3-methoxy-phenyl)-1-(3-methoxypropyl)pyrrolidine 4-[(4-butoxyphenyl)-hydroxy-meth…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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 7.34 -61.42 1 8 -1 108 468.526 12 ↓
Mid Mid (pH 6-8) 3.91 7.27 -15.53 2 8 0 106 469.534 11 ↓
Mid Mid (pH 6-8) 2.88 -1.42 -14.39 1 8 0 102 469.534 12 ↓

Activity (Go SEA)

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