UCSF

ZINC01042121

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 21 Yes

CAS Number: 91-73-6

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) 4.84 1.99 -4.31 0 1 0 3 273.379 5

Vendor Notes

Note Type Comments Provided By
BP 180 / 1 TCI
Boiling_Point 180?/1mm Alfa-Aesar
Boiling_Point 180°/1mm Alfa-Aesar
Melting_Point 69-71? Alfa-Aesar
Melting_Point 69-71° Alfa-Aesar
MP 70 TCI

Activity (Go SEA)

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