UCSF

ZINC03844280

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 28 No

CAS Number: 566-88-1

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) 7.62 15.1 -4.2 0 1 0 17 386.664 5

Vendor Notes

Note Type Comments Provided By
Melting_Point 128-132? Alfa-Aesar
Melting_Point 128-132° Alfa-Aesar

Activity (Go SEA)

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