UCSF

ZINC39301154

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 31 Yes

Popular Name: [3-[[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methano [3-[[2-amino-6-(3-methoxyanilino…

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) 2.73 7.04 -17.1 5 9 0 126 420.473 6 ↓
Mid Mid (pH 6-8) 2.73 7.02 -43.39 6 9 1 127 421.481 6 ↓
Mid Mid (pH 6-8) 2.73 6.96 -44.29 6 9 1 127 421.481 6 ↓

Activity (Go SEA)

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