UCSF

ZINC14258824

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2008 33 Yes

Popular Name: N-isobutyl-2-[[2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]acetyl]amino]benzamide N-isobutyl-2-[[2-[4-[5-(trifluor…

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) 3.37 9.28 -44.4 3 7 1 79 464.512 8 ↓
Hi High (pH 8-9.5) 3.37 7.06 -14.96 2 7 0 78 463.504 8 ↓

Activity (Go SEA)

Rings

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

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