UCSF

ZINC00388707

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 12 Yes

CAS Number: 2462-31-9

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) 0.57 3.63 -45.97 3 3 1 54 166.2 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 139-140? Alfa-Aesar
Melting_Point 139-140° Alfa-Aesar

Activity (Go SEA)

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