UCSF

ZINC01695430

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) 1.92 2.81 -4.62 1 2 0 29 166.22 4

Vendor Notes

Note Type Comments Provided By
Boiling_Point 138-141?/8mm Alfa-Aesar
Boiling_Point 138-141°/8mm Alfa-Aesar
Melting_Point 40-44? Alfa-Aesar
Melting_Point 40-44° Alfa-Aesar

Activity (Go SEA)

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