UCSF

ZINC14628864

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2008 8 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) 1.37 1.63 -2.51 1 1 0 20 118.151 0

Vendor Notes

Note Type Comments Provided By
BP 166 TCI
Boiling_Point 166? Alfa-Aesar
Boiling_Point 166° Alfa-Aesar
MP 21 TCI
Melting_Point 21? Alfa-Aesar
Melting_Point 21° Alfa-Aesar
BP 60°/12mm Matrix Scientific
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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