UCSF

ZINC05226277

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 23 No

CAS Number: 585-88-6

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) -4.02 -19.99 -13.16 9 11 0 200 344.313 8

Vendor Notes

Note Type Comments Provided By
Melting_Point 149-152? Alfa-Aesar
Melting_Point 149-152° Alfa-Aesar

Activity (Go SEA)

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

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