UCSF

ZINC67515527

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 26 Yes

Popular Name: 2-[5-[2-amino-6-(p-tolylsulfanyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-1-yl]ethanol 2-[5-[2-amino-6-(p-tolylsulfanyl…

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) 1.98 7 -10.39 3 7 0 93 368.466 5 ↓
Lo Low (pH 4.5-6) 1.98 7.45 -34.18 4 7 1 94 369.474 5 ↓
Lo Low (pH 4.5-6) 1.98 7.4 -30.11 4 7 1 94 369.474 5 ↓

Activity (Go SEA)

Rings

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

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