UCSF

ZINC60250214

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 34 Yes

Popular Name: N-(2-dimethylaminoethyl)-4-ethoxy-3-(5-ethyl-4-oxo-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)-N- N-(2-dimethylaminoethyl)-4-ethox…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.89 9.08 -51.9 2 10 1 114 491.638 11 ↓
Hi High (pH 8-9.5) 3.35 4.82 -59.2 0 10 -1 116 489.622 11 ↓
Mid Mid (pH 6-8) 3.35 7.29 -61.44 1 10 0 117 490.63 11 ↓

Activity (Go SEA)

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