UCSF

ZINC00388749

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 9 Yes

CAS Number: 622-40-2

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) -0.44 -0.38 -31.7 2 3 1 34 132.183 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 1-2? Alfa-Aesar
Melting_Point 1-2° Alfa-Aesar
Boiling_Point 226-228? Alfa-Aesar
Boiling_Point 226-228° Alfa-Aesar

Activity (Go SEA)

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