UCSF

ZINC00161997

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) 0.44 -0.25 -3.51 1 2 0 29 116.16 1

Vendor Notes

Note Type Comments Provided By
BP [°C] 105 - 110 (p=20 torr) Acros Organics
Boiling_Point 111-115?/15mm Alfa-Aesar
BP 111-115°/15mm Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
Purity 98% Fluorochem
H phrase H319: Causes serious eye irritation Acros Organics
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Stored under Argon Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray. 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.