UCSF

ZINC05224991

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 25 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) -0.13 -1.68 -33.62 2 6 -1 106 345.371 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 222? dec. Alfa-Aesar
Melting_Point 222° dec. Alfa-Aesar

Activity (Go SEA)

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