UCSF

ZINC02041212

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) 1.62 2.6 -8.74 1 3 0 50 226.029 0
Ref Reference (pH 7) 2.07 -0.17 -5.94 1 3 0 50 226.029 0
Hi High (pH 8-9.5) 2.07 0.64 -39.91 0 3 -1 53 225.021 0

Vendor Notes

Note Type Comments Provided By
MP 247 - 252 Enamine Building Blocks
MP 247...252 Enamine Building Blocks
Mp [°C] 251 - 253 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 99% APIChem
Melting_Point ca 250? dec. Alfa-Aesar
Melting_Point ca 250° dec. Alfa-Aesar
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H315: Causes skin irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear eye protection/face protection Acros Organics
P phrase P280: Wear 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; P310: Immediately call a POISON CENTER or doctor/physician; P26 Acros Organics
R phrase R37/38: Irritating to respiratory system and skin. Acros Organics
R phrase R37/38: Irritating to respiratory system and skin.; R41: Risk of serious damage to eyes. 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.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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