UCSF

ZINC33819085

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 36 No

Popular Name: (2R)-2-[[4-[4-[(2-chlorophenyl)methoxymethyl]-1-piperidyl]phenoxy]methyl]-2-methyl-6-nitro-3H-imidaz (2R)-2-[[4-[4-[(2-chlorophenyl)m…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.51 14.6 -88.66 2 9 2 97 515.01 9 ↓
Mid Mid (pH 6-8) 5.51 13.5 -55.94 1 9 1 96 514.002 9 ↓
Mid Mid (pH 6-8) 5.51 12.85 -21.44 0 9 0 95 512.994 9 ↓
Mid Mid (pH 6-8) 5.51 13.95 -40.65 1 9 1 96 514.002 9 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.