UCSF

ZINC01634140

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) 0.05 -0.34 -11.24 0 3 0 43 124.161 2

Vendor Notes

Note Type Comments Provided By
BP [°C] 213 - 214 Acros Organics
Boiling_Point 85-86?/10mm Alfa-Aesar
Boiling_Point 85-86°/10mm Alfa-Aesar
BP 89 / 10 TCI
Purity 99% Fluorochem
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H319: Causes serious eye irritation; H340: May cause genetic defects; H350: May cause cancer; H315: Causes skin irritation; H302: Harmful if swallowed Acros Organics
P phrase P201: Obtain special instructions before use Acros Organics
P phrase P201: Obtain special instructions before use; P308 + P313: IF exposed or concerned: Get medical advice/attention; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R45: May cause cancer. Acros Organics
R phrase R45: May cause cancer.; R46: May cause heritable genetic damage.; R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection.; S45: In case of accident or if you fe Acros Organics
Hazard T: Toxic Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80089-2-O CHO-AA8 (cluster #2 Of 2), Other Other 6800 1.03 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80089 Z80089 CHO-AA8 6800 1.03 Functional ≤ 10μM

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