UCSF

ZINC39301495

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 33 Yes

Popular Name: 3-[[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]-N-[3-(dimethylamino)propyl]-N-methyl-benzamide 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) 3.54 11.96 -44.51 5 9 1 110 450.567 10 ↓
Mid Mid (pH 6-8) 3.54 12.09 -77.81 6 9 2 111 451.575 10 ↓
Mid Mid (pH 6-8) 3.54 12 -76.25 6 9 2 111 451.575 10 ↓

Activity (Go SEA)

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