UCSF

ZINC02023332

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 14 No

CAS Number: 10486-19-8

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) 6.12 9.78 -4.71 0 1 0 17 198.35 11

Vendor Notes

Note Type Comments Provided By
Melting_Point 14-15? Alfa-Aesar
Melting_Point 14-15° Alfa-Aesar
Boiling_Point 280? Alfa-Aesar
Boiling_Point 280° Alfa-Aesar

Activity (Go SEA)

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