UCSF

ZINC01686590

Annotations

Vendors

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) -0.34 -1.17 -45.09 3 3 1 53 110.14 1

Vendor Notes

Note Type Comments Provided By
BP 117-118° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Fluorochem
Purity >95% Matrix Scientific
Hazard C: Corrosive Acros Organics
H phrase H302: Harmful if swallowed; H314: Causes severe skin burns and eye damage Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P310: Immediately call a POISON CENTER or doctor/physician; P303 + P361 + P353: IF ON SKIN (or hair): T Acros Organics
R phrase R22: Harmful if swallowed.; R34: Causes burns. Acros Organics

Activity (Go SEA)

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

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