UCSF

ZINC54445507

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 28 Yes

Popular Name: N-(5-methylisoxazol-3-yl)-2-[4-[[(4R)-2-oxo-4-phenyl-azetidin-1-yl]methyl]piperazin-1-yl]acetamide N-(5-methylisoxazol-3-yl)-2-[4-[…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 1.29 5.65 -15.26 1 8 0 82 383.452 6 ↓
Mid Mid (pH 6-8) 1.29 8.26 -49.27 2 8 1 83 384.46 6 ↓

Activity (Go SEA)

Rings

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

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