UCSF

ZINC03860848

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) 5.02 5.27 -10.18 1 3 0 45 248.285 2
Ref Reference (pH 7) 5.02 6.75 -9.95 1 3 0 45 248.285 2

Vendor Notes

Note Type Comments Provided By
MP 129 TCI
Mp [°C] 131 - 133 Acros Organics
H phrase H341: Suspected of causing genetic defects Acros Organics
H phrase H341: Suspected of causing genetic defects; H351: Suspected of causing cancer; H317: May cause an allergic skin reaction; H413: May cause long lasting harmful effects to aquatic life Acros Organics
P phrase P280: Wear eye protection/face protection Acros Organics
P phrase P280: Wear eye protection/face protection; P273: Avoid release to the environment; P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
R phrase R40: Limited evidence of a carcinogenic effect. Acros Organics
R phrase R40: Limited evidence of a carcinogenic effect.; R43: May cause sensitisation by skin contact.; R53: May cause long-term adverse effects in the aquatic environment.; R68: Possible risks of irreversible effects. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
S phrase S22: Do not breathe dust.; S36/37: Wear suitable protective clothing and gloves.; S46: If swallowed, seek medical advice immediately and show this container or label.; S61: Avoid release to the environment. Refer to special instructions / safety data shee Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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