UCSF

ZINC54838779

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 22 Yes

Popular Name: 4-[4-(3,3-dimethylbutyl)piperazin-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine 4-[4-(3,3-dimethylbutyl)piperazi…

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) 2.18 9.68 -44.28 1 6 1 51 303.434 4 ↓
Hi High (pH 8-9.5) 2.18 7.47 -6.32 0 6 0 50 302.426 4 ↓

Activity (Go SEA)

Rings

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