UCSF

ZINC59614291

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 30 Yes

Popular Name: [(3R)-1-[3-[(2-chlorophenyl)methyl]-6-ethyl-4-oxo-5H-pyrazolo[1,5-a]pyrazin-2-yl]-3-piperidyl]carbam [(3R)-1-[3-[(2-chlorophenyl)meth…

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) 4.79 7.97 -57.96 2 8 -1 106 428.9 5 ↓
Lo Low (pH 4.5-6) 4.79 8.73 -49 3 8 0 107 429.908 5 ↓

Activity (Go SEA)

Rings

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

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