UCSF

ZINC77980213

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2012 30 Yes

Popular Name: [1-(4-methoxyphenyl)cyclopentyl]-[3-(4-pyridyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]methanon [1-(4-methoxyphenyl)cyclopentyl]…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.27 9.8 -13.2 0 6 0 68 403.482 4 ↓
Lo Low (pH 4.5-6) 3.27 10.26 -42.47 1 6 1 70 404.49 4 ↓

Activity (Go SEA)

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

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