UCSF

ZINC01684713

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 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) 1.50 6.41 -9.94 0 4 0 53 188.223 8

Vendor Notes

Note Type Comments Provided By
BP 108 / 6 TCI
Boiling_Point 243-245? Alfa-Aesar
Boiling_Point 243-245° Alfa-Aesar

Activity (Go SEA)

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