UCSF

ZINC00394784

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 19 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) 3.77 2.33 -9.44 0 2 0 26 254.329 5

Vendor Notes

Note Type Comments Provided By
BP 180 / 10 TCI
Boiling_Point 180?/10mm Alfa-Aesar
Boiling_Point 180°/10mm Alfa-Aesar
Melting_Point 76-79? Alfa-Aesar
Melting_Point 76-79° Alfa-Aesar
MP 79 TCI

Activity (Go SEA)

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