UCSF

ZINC67982377

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 26 Yes

Popular Name: N-methyl-5-[2-methyl-6-[(3R)-3-piperidyl]pyrimidin-4-yl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3 N-methyl-5-[2-methyl-6-[(3R)-3-p…

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) 0.01 4.23 -45.82 4 8 1 103 356.454 3 ↓
Lo Low (pH 4.5-6) 0.01 4.81 -98.72 5 8 2 105 357.462 3 ↓

Activity (Go SEA)

Rings

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

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