UCSF

ZINC04708726

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2005 18 Yes

Popular Name: 2-bromo-N-[2-(4-pyridyl)ethyl]benzamide 2-bromo-N-[2-(4-pyridyl)ethyl]be…

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) 2.41 6.25 -13.04 1 3 0 42 305.175 4 ↓
Mid Mid (pH 6-8) 2.48 4.8 -38.56 2 3 1 47 306.183 4 ↓
Lo Low (pH 4.5-6) 2.41 6.71 -40.82 2 3 1 43 306.183 4 ↓

Activity (Go SEA)

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