UCSF

ZINC33819091

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 37 No

Popular Name: (2R)-2-[[4-[4-[2-[(4-chlorophenyl)methoxy]ethyl]-1-piperidyl]phenoxy]methyl]-2-methyl-6-nitro-3H-imi (2R)-2-[[4-[4-[2-[(4-chloropheny…

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) 6.02 15.08 -90.35 2 9 2 97 529.037 10 ↓
Mid Mid (pH 6-8) 6.02 13.98 -57.46 1 9 1 96 528.029 10 ↓
Mid Mid (pH 6-8) 6.02 14.42 -42.06 1 9 1 96 528.029 10 ↓
Mid Mid (pH 6-8) 6.02 13.32 -22.6 0 9 0 95 527.021 10 ↓

Activity (Go SEA)

Rings

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