UCSF

ZINC60250262

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 41 No

Popular Name: N,N-bis(2-diethylaminoethyl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-2-y N,N-bis(2-diethylaminoethyl)-4-e…

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) 3.85 13.23 -114.41 3 11 2 119 591.823 17 ↓
Hi High (pH 8-9.5) 4.31 9.37 -59.75 1 11 0 120 589.807 17 ↓
Hi High (pH 8-9.5) 4.31 7.23 -58.15 0 11 -1 119 588.799 17 ↓
Mid Mid (pH 6-8) 4.31 11.44 -111.38 2 11 1 122 590.815 17 ↓

Activity (Go SEA)

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