UCSF

ZINC00402720

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) 1.57 0.78 -20.13 0 6 0 74 314.293 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 286 - 289 Acros Organics
H phrase H350: May cause cancer Acros Organics
H phrase H350: May cause cancer; H330: Fatal if inhaled; H310: Fatal in contact with skin; H300: Fatal if swallowed Acros Organics
UniProt Database Links ORDA_ASPFL; ORDA_ASPFN; ORDA_ASPPA ChEBI
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P361: Remove/Take off immediately all contaminated clothing; P302 + P350: IF ON SKIN: Gently Acros Organics
R phrase R45: May cause cancer. Acros Organics
R phrase R45: May cause cancer.; R26/27/28: Very toxic by inhalation, in contact with skin and if swallowed. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use.; S1: Keep locked up.; S28A: After contact with skin, wash immediately with plenty of water.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accid Acros Organics
Hazard T+: Very toxic Acros Organics

Activity (Go SEA)

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