UCSF

ZINC01565355

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 7 Yes

CAS Number: 5963-77-9

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) 1.03 3.33 -50.56 0 2 -1 40 97.093 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 47-53? Alfa-Aesar
Melting_Point 47-53° Alfa-Aesar

Activity (Go SEA)

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