UCSF

ZINC01381948

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 28 Yes

Popular Name: 3-(4-fluorophenyl)-5-(2-phenyl-4-pyrimidinyl)-2,1-benzisoxazole 3-(4-fluorophenyl)-5-(2-phenyl-4…

Find On: PubMed — Wikipedia — Google

CAS Number: 338772-67-1

Other Names:

MFCD00663816

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) 5.65 2.64 -10.73 0 4 0 51 367.383 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 208 - 210 KeyOrganics

Activity (Go SEA)

Rings

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

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