UCSF

ZINC21532911

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 27 Yes

Popular Name: (5-bromo-2-hydroxy-phenyl)-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methanone (5-bromo-2-hydroxy-phenyl)-[4-[5…

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) 4.04 7.24 -9.06 1 5 0 57 444.251 3 ↓
Mid Mid (pH 6-8) 4.04 7.82 -49.02 0 5 -1 59 443.243 3 ↓

Activity (Go SEA)

Rings

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

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