UCSF

ZINC11592578

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2008 33 No

CAS Number: 84-80-0

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) 8.80 19.55 -5.42 0 2 0 34 450.707 14

Vendor Notes

Note Type Comments Provided By
Melting_Point ca -20? Alfa-Aesar
Melting_Point ca -20° Alfa-Aesar
Boiling_Point ca 140?/0.001m Alfa-Aesar
Boiling_Point ca 140°/0.001m Alfa-Aesar

Activity (Go SEA)

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