UCSF

ZINC59833997

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 30 No

CAS Number: 1338-41-6

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) 7.23 7.12 -9.78 3 6 0 96 430.626 20

Vendor Notes

Note Type Comments Provided By
Melting_Point 53-57? Alfa-Aesar
Melting_Point 53-57° Alfa-Aesar

Activity (Go SEA)

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

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