UCSF

ZINC02166972

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 19 No

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) 2.47 2.55 -9.36 0 9 0 122 269.213 6

Vendor Notes

Note Type Comments Provided By
Melting_Point 110-113? Alfa-Aesar
Melting_Point 110-113° Alfa-Aesar

Activity (Go SEA)

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