UCSF

ZINC13543347

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 26 No

Popular Name: N'-(4-chloro-2-methoxy-phenyl)-N-(2-dimethylaminoethyl)-N-[(1S)-1-(4-pyridyl)ethyl]-1-sulfanyl-forma N'-(4-chloro-2-methoxy-phenyl)-N…

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) 2.96 10.98 -53.44 2 5 1 42 393.964 9 ↓
Lo Low (pH 4.5-6) 3.63 10.77 -92.07 2 5 2 43 394.972 8 ↓

Activity (Go SEA)

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