UCSF

ZINC65506661

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 24 Yes

Popular Name: (4S)-4-(4-aminocyclohexyl)-1-methyl-3-(2-pyridyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (4S)-4-(4-aminocyclohexyl)-1-met…

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) 0.42 5.02 -48.76 4 6 1 87 326.424 2 ↓
Lo Low (pH 4.5-6) 0.42 5.04 -99.9 5 6 2 89 327.432 2 ↓

Activity (Go SEA)

Rings

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

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