UCSF

ZINC02031663

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 10 Yes

CAS Number: 624-51-1

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) 3.50 -0.4 -1.65 1 1 0 20 144.258 6

Vendor Notes

Note Type Comments Provided By
Boiling_Point 192-194? Alfa-Aesar
Boiling_Point 192-194° Alfa-Aesar
BP 195 TCI

Activity (Go SEA)

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