UCSF

ZINC01694796

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 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) 1.00 5.63 -9.49 0 4 0 53 174.196 7

Vendor Notes

Note Type Comments Provided By
Melting_Point 12-15? Alfa-Aesar
Melting_Point 12-15° Alfa-Aesar
BP 230 TCI
Boiling_Point 230? Alfa-Aesar
Boiling_Point 230° Alfa-Aesar

Activity (Go SEA)

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