UCSF

ZINC01680040

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 Yes

CAS Numbers: 21964-44-3 , 31795-37-6

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) 3.27 -0.1 -1.84 1 1 0 20 142.242 6

Vendor Notes

Note Type Comments Provided By
BP 100 / 22 TCI
Boiling_Point 192-194? Alfa-Aesar
Boiling_Point 192-194° Alfa-Aesar

Activity (Go SEA)

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