UCSF

ZINC00388481

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 3.43 -5.39 0 2 0 20 135.594 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 32 Acros Organics
Melting_Point 32? Alfa-Aesar
Melting_Point 32° Alfa-Aesar
Boiling_Point 186? Alfa-Aesar
Boiling_Point 186° Alfa-Aesar
BP [°C] 76 - 78 (p=12 torr) Acros Organics
H phrase H315: Causes skin irritation Acros Organics
H phrase H335: May cause respiratory irritation; H302: Harmful if swallowed; H332: Harmful if inhaled; H314: Causes severe skin burns and eye damage; H351: Suspected of causing cancer Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P260: Do not breathe dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P310: Immediately call a POISON C Acros Organics
R phrase R20/22: Harmful by inhalation and if swallowed. Acros Organics
R phrase R20/22: Harmful by inhalation and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R40: Limited evidence of a carcinogenic effect. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; 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% )

No pre-computed analogs available. Try a structural similarity search.