UCSF

ZINC09329120

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 35 No

Popular Name: 5-(2,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)-4-[hydroxy-(4-isobutoxyphenyl)-methylene]-pyrrolidi 5-(2,4-dimethoxyphenyl)-1-(2-dim…

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) 3.63 9.69 -72.33 1 8 0 93 482.577 11 ↓
Hi High (pH 8-9.5) 3.63 7.17 -57.81 0 8 -1 91 481.569 11 ↓
Mid Mid (pH 6-8) 4.07 9.36 -42.78 2 8 1 90 483.585 10 ↓

Activity (Go SEA)

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