UCSF

ZINC69871719

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 25 Yes

Popular Name: 1-[4-(1-tert-butyl-4,5-dihydropyrazolo[3,4-d]pyrimidin-6-yl)piperazin-1-yl]-2,2-dimethyl-propan-1-on 1-[4-(1-tert-butyl-4,5-dihydropy…

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) 1.97 9.71 -13.78 1 7 0 66 346.479 3 ↓
Mid Mid (pH 6-8) -2.25 9.77 -41.22 2 7 1 65 347.487 2 ↓

Activity (Go SEA)

Rings

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

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