UCSF

ZINC59190947

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) 9.38 19.24 -8.72 0 4 0 53 398.628 23

Vendor Notes

Note Type Comments Provided By
Mp [°C] 53 - 57 Acros Organics
Melting_Point 53-57? Alfa-Aesar
Melting_Point 53-57° Alfa-Aesar
H phrase H242: Heating may cause a fire Acros Organics
Hazard O: Oxidizing Acros Organics
P phrase P280: Wear protective gloves/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P220: Keep/Store away from clothing/ combustible materials; P234: Keep only in original container; P4 Acros Organics
R phrase R7: May cause fire. Acros Organics
S phrase S3/7: Keep container tightly closed in a cool place. Acros Organics
S phrase S3/7: Keep container tightly closed in a cool place.; S14A: Keep away from acids, reducing agents and polymerisation catalysts.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.