UCSF

ZINC36914689

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 26 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) 2.12 10.65 -55.92 1 5 -1 78 352.41 6

Vendor Notes

Note Type Comments Provided By
Mp [°C] 37 - 53 Acros Organics
H phrase H228: Flammable solid Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P240: Ground/Bond container and receiving equipment; P241: Use explosion-proof electrical/ventilating/lighting/equipment; P280: Wear protective gloves/eye protection/face protection Acros Organics

Activity (Go SEA)

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