UCSF

ZINC04262207

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) -0.22 -1.08 -8.64 2 2 0 43 137.964 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 87-90? Alfa-Aesar
Melting_Point 87-90° Alfa-Aesar
M.P 87-91 °C Indofine
MP 87-97° Oakwood Chemical
Mp [°C] 88 - 91 Acros Organics
MP 89 TCI
MP 89 - 91 Enamine Building Blocks
MP 89...91 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
H phrase H301: Toxic if swallowed Acros Organics
H phrase H301: Toxic if swallowed; H314: Causes severe skin burns and eye damage 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; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P260: Do not breathe dust Acros Organics
R phrase R25: Toxic if swallowed. Acros Organics
R phrase R25: Toxic if swallowed.; R34: Causes burns. Acros Organics
Hazard T: Toxic Acros Organics

Activity (Go SEA)

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

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