UCSF

ZINC01845866

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 11 Yes

CAS Numbers: 646-24-2 , [646-24-2]

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) 0.99 2.37 -88.12 6 2 2 55 160.305 8

Vendor Notes

Note Type Comments Provided By
Boiling_Point 258-259? Alfa-Aesar
Boiling_Point 258-259° Alfa-Aesar
Melting_Point 36-40? Alfa-Aesar
Melting_Point 36-40° Alfa-Aesar

Activity (Go SEA)

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