UCSF

ZINC08437845

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 33 No

Popular Name: ethyl 2-chloro-5-{[(5-cyano-4-methyl-2,6-dioxo-1-(2-phenylethyl)-1,6-dihydro-3(2H)-pyridinylidene)methyl]amino}benzoate ethyl 2-chloro-5-{[(5-cyano-4-me…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD03866981

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) 4.20 13.26 -27.78 1 7 0 101 463.921 8 ↓
Ref Reference (pH 7) 4.20 13.42 -24.89 1 7 0 101 463.921 8 ↓
Hi High (pH 8-9.5) 4.71 12.26 -37.92 0 7 -1 108 462.913 8 ↓

Activity (Go SEA)

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