UCSF

ZINC20235126

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 No

Popular Name: N-(4-(2-(2,5-dimethyl-3-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)ethoxy)phenyl)acetamide N-(4-(2-(2,5-dimethyl-3-((2,4,6-…

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) 2.52 4.73 -58.63 2 9 -1 129 459.482 6 ↓
Lo Low (pH 4.5-6) 2.06 6.51 -21.37 3 9 0 126 460.49 6 ↓
Lo Low (pH 4.5-6) 2.52 4.73 -58.84 2 9 -1 129 459.482 6 ↓

Activity (Go SEA)

Rings

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