UCSF

ZINC09361105

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 33 No

Popular Name: 4-[(4-butoxyphenyl)-hydroxy-methylene]-5-(4-hydroxy-3-methoxy-phenyl)-1-(2-methoxyethyl)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) 3.20 6.63 -64.97 1 8 -1 108 454.499 11 ↓
Mid Mid (pH 6-8) 3.64 6.51 -17.66 2 8 0 106 455.507 10 ↓
Mid Mid (pH 6-8) 2.61 -1.65 -15.5 1 8 0 102 455.507 11 ↓

Activity (Go SEA)

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