UCSF

ZINC33819076

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-[(E)-3-(4-chlorophenyl)allyl]piperazin-1-yl]phenoxy]methyl]-2-methyl-6-nitro-3H-imidaz (2R)-2-[[4-[4-[(E)-3-(4-chloroph…

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) 5.45 14.93 -92.55 2 9 2 91 512.01 8 ↓
Hi High (pH 8-9.5) 5.45 11.59 -21.89 0 9 0 89 509.994 8 ↓
Mid Mid (pH 6-8) 5.45 13.83 -63.91 1 9 1 90 511.002 8 ↓
Mid Mid (pH 6-8) 5.45 12.69 -41.55 1 9 1 90 511.002 8 ↓

Activity (Go SEA)

Rings

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

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