UCSF

ZINC12405001

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) 2.38 0.26 -5.46 1 2 0 29 164.204 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 10 Acros Organics
BP [°C] 266 - 268 Acros Organics
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H302: Harmful if swallowed; H317: May cause an allergic skin reaction; H319: Causes serious eye irritation Acros Organics
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN E Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R36/38: Irritating to eyes and skin.; R43: May cause sensitisation by skin contact. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Rings

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