UCSF

ZINC01700296

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) 1.86 6 -33.7 1 1 1 4 148.657 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 228 - 234 Acros Organics
Melting_Point 229-235? Alfa-Aesar
Melting_Point 229-235° Alfa-Aesar
MP 232 TCI
MP 232 - 234 Enamine Building Blocks
MP 232...234 Enamine Building Blocks
MP 234 - 236 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
H phrase H300: Fatal if swallowed; H314: Causes severe skin burns and eye damage; H341: Suspected of causing genetic defects Acros Organics
H phrase H319: Causes serious eye irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray 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; P264: Wash face, hands an Acros Organics
R phrase R28: Very toxic if swallowed.; R34: Causes burns.; R68: Possible risks of irreversible effects. Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard T+: Very toxic Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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

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