UCSF

ZINC17489242

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2008 22 No

Popular Name: (4E)-4-(dimethylaminomethylene)-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one (4E)-4-(dimethylaminomethylene)-…

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) 2.31 8.74 -15.77 0 7 0 84 302.334 5 ↓

Activity (Go SEA)

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