UCSF

ZINC09123638

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 33 No

Popular Name: 5-(4-bromophenyl)-4-[hydroxy-(4-isobutoxy-2-methyl-phenyl)-methylene]-1-(3-methoxypropyl)pyrrolidine 5-(4-bromophenyl)-4-[hydroxy-(4-…

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) 5.00 11.83 -56.07 0 6 -1 79 515.424 10 ↓
Mid Mid (pH 6-8) 5.44 11.69 -11.88 1 6 0 76 516.432 9 ↓
Mid Mid (pH 6-8) 4.41 11.61 -11.31 0 6 0 73 516.432 10 ↓

Activity (Go SEA)

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