UCSF

ZINC38192987

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) -1.46 4.81 -130.19 6 2 2 55 214.312 3
Hi High (pH 8-9.5) -1.46 4.16 -3.41 4 2 0 52 212.296 3
Mid Mid (pH 6-8) -1.46 4.49 -41.34 5 2 1 54 213.304 3

Vendor Notes

Note Type Comments Provided By
MP 79-81° Oakwood Chemical
Melting_Point 80-84? Alfa-Aesar
Melting_Point 80-84° Alfa-Aesar
Mp [°C] 81 - 84 Acros Organics
MP 83 TCI
Purity 98% Fluorochem
Purity 99% APIChem
Hazard C: Corrosive Acros Organics
H phrase H302: Harmful if swallowed Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection 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 Acros Organics
R phrase R21/22: Harmful in contact with skin and if swallowed. Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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