UCSF

ZINC00002647

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

CAS Numbers: 15687-27-1 , 51146-56-6

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) 3.46 9.01 -46.27 0 2 -1 40 205.277 4

Vendor Notes

Note Type Comments Provided By
Boiling_Point 157?/4mm Alfa-Aesar
Boiling_Point 157°/4mm Alfa-Aesar
Melting_Point 75-78? Alfa-Aesar
Melting_Point 75-78° Alfa-Aesar

Activity (Go SEA)

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