UCSF

ZINC14881140

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) 2.42 4.71 -9.17 1 5 0 57 306.443 18

Vendor Notes

Note Type Comments Provided By
Mp [°C] 2 Acros Organics
BP [°C] 170 (p=0.4 torr) Acros Organics
ALOGPS_SOLUBILITY 2.56e-02 g/l DrugBank-experimental
PUBCHEM_PATENT_ID EP0458707B1; US4988604 IBM Patent Data
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
P phrase P280: Wear protective gloves/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/eye protection/face protection; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position co Acros Organics
R phrase R19: May form explosive peroxides. Acros Organics
R phrase R19: May form explosive peroxides.; R36/38: Irritating to eyes and skin. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes.; S28A: After contact with skin, wash immediately with plenty of water. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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