UCSF

ZINC01675732

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 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) 2.25 2.37 -1.51 1 1 0 20 116.204 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 5 Acros Organics
Melting_Point 5? Alfa-Aesar
Melting_Point Alfa-Aesar
Boiling_Point 131-132? Alfa-Aesar
Boiling_Point 131-132° Alfa-Aesar
BP [°C] 132 Acros Organics
H phrase H226: Flammable liquid and vapor Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
R phrase R10: Flammable. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics

Activity (Go SEA)

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