UCSF

ZINC00164395

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) -0.25 1.52 -42.77 3 2 1 41 123.179 2

Vendor Notes

Note Type Comments Provided By
BP [°C] 105 - 106 (p=10 torr) Acros Organics
Boiling_Point 208? Alfa-Aesar
Boiling_Point 208° Alfa-Aesar
MP 41 - 50 Enamine Building Blocks
MP 41...50 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks
BP 92-93°/12mm Oakwood Chemical
BP 93 / 12 TCI
purity 95 Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings AIR SENSITIVE, CORROSIVE Matrix Scientific
Hazard C: Corrosive Acros Organics
Warnings Corrosive/Air Sensitive Matrix Scientific
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H318: Causes serious eye damage Acros Organics
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sigma Chemical Company; NCC_SUPPLIER_STRUCTURE_ID : A55306 NIH Clinical Collection via PubChem
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P310: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothi Acros Organics
R phrase R34: Causes burns. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase 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 and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat Acros Organics
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sigma Chemical Company; SUPPLIER_STRUCTURE_ID: A55306 NIH Clinical Collection via PubChem

Activity (Go SEA)

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

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