UCSF

ZINC01664216

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 18 Yes

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) 4.85 10.09 -5.1 0 1 0 17 244.378 3

Vendor Notes

Note Type Comments Provided By
Boiling_Point 168-170?/2mm Alfa-Aesar
Boiling_Point 168-170°/2mm Alfa-Aesar
Melting_Point 38-42? Alfa-Aesar
Melting_Point 38-42° Alfa-Aesar

Activity (Go SEA)

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