UCSF

ZINC49539742

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 32 No

Popular Name: N-(2-ethoxyphenyl)-2-[[4-imino-3-methyl-5-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetam N-(2-ethoxyphenyl)-2-[[4-imino-3…

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) 0.43 10.61 -33.06 4 8 1 110 449.56 7 ↓
Mid Mid (pH 6-8) 2.48 10.57 -13.65 3 8 0 109 448.552 7 ↓

Activity (Go SEA)

Rings

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