UCSF

ZINC00074846

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 No

CAS Number: 532-24-1

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) 0.29 4.52 -40.94 1 2 1 22 140.206 0

Vendor Notes

Note Type Comments Provided By
Boiling_Point 227? Alfa-Aesar
Boiling_Point 227° Alfa-Aesar
Melting_Point 40-43? Alfa-Aesar
Melting_Point 40-43° Alfa-Aesar

Activity (Go SEA)

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