UCSF

ZINC67967452

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 23 Yes

Popular Name: 2-[[6-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol 2-[[6-(2-tert-butyl-5,7-dihydrop…

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) 0.94 4.56 -9.66 2 7 0 87 314.393 5 ↓
Lo Low (pH 4.5-6) 0.94 4.98 -36.57 3 7 1 88 315.401 5 ↓
Lo Low (pH 4.5-6) 0.94 5.04 -35.04 3 7 1 88 315.401 5 ↓

Activity (Go SEA)

Rings

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

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