UCSF

ZINC67472872

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 24 Yes

Popular Name: [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-(5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin [3-(3,5-dimethylpyrazol-1-yl)aze…

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) 0.60 7.28 -52.59 1 7 1 60 329.428 2 ↓
Hi High (pH 8-9.5) 0.60 5.05 -14.37 0 7 0 59 328.42 2 ↓
Lo Low (pH 4.5-6) 0.60 7.4 -84.17 2 7 2 62 330.436 2 ↓

Activity (Go SEA)

Rings

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

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