UCSF

ZINC37217981

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 Yes

Popular Name: (1S)-1-(4-chlorophenyl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine (1S)-1-(4-chlorophenyl)-N-[(2-me…

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) 3.96 9.73 -28.44 2 3 1 31 300.813 4 ↓
Hi High (pH 8-9.5) 3.96 9.28 -10.35 1 3 0 29 299.805 4 ↓
Lo Low (pH 4.5-6) 3.96 10.83 -105.73 3 3 2 35 301.821 4 ↓

Activity (Go SEA)

Rings

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