UCSF

ZINC01609009

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 8 No

Download: MOL2 SDF SMILES Flexibase

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) 2.59 -0.02 -3.4 0 1 0 12 114.188 4

Vendor Notes

Note Type Comments Provided By
BP 144 TCI
Purity >96% Fluorochem
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; XN: Harmful Acros Organics
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H351: Suspected of causing cancer; H312: Harmful in contact with skin; H332: Harmful if inhaled; H225: Highly flammable liquid and vapor 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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: R Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R40: Limited evidence of a carcinogenic effect. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; S23: Do not breathe gas/fumes/vapour/spray.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves an Acros Organics

Activity (Go SEA)

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