UCSF

ZINC01470694

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 26 Yes

CAS Number: 523-31-9

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) 4.74 3.66 -14.03 0 4 0 52 346.382 8

Vendor Notes

Note Type Comments Provided By
Boiling_Point 276-278?/15mm Alfa-Aesar
Boiling_Point 276-278°/15mm Alfa-Aesar
Melting_Point 40-42? Alfa-Aesar
Melting_Point 40-42° Alfa-Aesar

Activity (Go SEA)

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