UCSF

ZINC69976790

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 23 Yes

Popular Name: [4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone [4-[(2R)-2-hydroxybutyl]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) 0.03 2.59 -18.34 1 7 0 74 317.393 4 ↓
Lo Low (pH 4.5-6) 0.03 4.9 -49.81 2 7 1 75 318.401 4 ↓

Activity (Go SEA)

Rings

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

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