UCSF

ZINC11812823

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2008 31 No

Popular Name: [4-[(5R)-3-[(4-fluorophenyl)methyl]4,5-dihydroisoxazole-5-carbonyl]piperazin-1-yl]-(2-methoxyphenyl) [4-[(5R)-3-[(4-fluorophenyl)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) 2.66 1.22 -29.32 0 7 0 71 425.46 5 ↓

Activity (Go SEA)

Rings

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

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