UCSF

ZINC73352978

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2012 27 Yes

Popular Name: 5-chloro-N2-(1-(5-fluoropyridin-2-yl)ethyl)-N4-(5-isopropoxy-1H-pyrazol-3-yl)pyrimidine-2,4-diamine 5-chloro-N2-(1-(5-fluoropyridin-…

Find On: PubMed — Wikipedia — Google

CAS Number: 915720-21-7

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) 4.10 8.03 -9.67 3 8 0 101 391.838 7 ↓
Mid Mid (pH 6-8) 4.10 8.4 -41.41 4 8 1 102 392.846 7 ↓
Lo Low (pH 4.5-6) 4.10 9.05 -84.59 5 8 2 103 393.854 7 ↓
Lo Low (pH 4.5-6) 4.10 8.92 -38.27 4 8 1 102 392.846 7 ↓

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.