UCSF

ZINC39267562

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 32 Yes

Popular Name: [1-(2-amino-6-anilino-pyrimidin-4-yl)-4-piperidyl]-[(5R)-3,3,5-trimethylazepan-1-yl]methanone [1-(2-amino-6-anilino-pyrimidin-…

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) 4.81 13.69 -14.26 3 7 0 87 436.604 4 ↓
Mid Mid (pH 6-8) 4.81 14.05 -36.98 4 7 1 89 437.612 4 ↓

Activity (Go SEA)

Rings

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