UCSF

ZINC04272012

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) 5.30 12.65 -4.97 0 2 0 6 330.475 5

Vendor Notes

Note Type Comments Provided By
Mp [°C] 100 - 102 Acros Organics
Melting_Point 100-102? Alfa-Aesar
Melting_Point 100-102° Alfa-Aesar
MP 102 TCI
H phrase H351: Suspected of causing cancer Acros Organics
P phrase P281: Use personal protective equipment as required Acros Organics
R phrase R40: Limited evidence of a carcinogenic effect. Acros Organics
R phrase R40: Limited evidence of a carcinogenic effect.; R68: Possible risks of irreversible effects. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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