UCSF

ZINC13262860

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 23 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) 1.83 6.65 -59.35 1 5 -1 86 338.449 4

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 212? dec. Alfa-Aesar
Melting_Point ca 212° dec. Alfa-Aesar

Activity (Go SEA)

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