UCSF

ZINC14008088

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) 1.85 3.26 -48.57 0 3 -1 53 190.993 1
Hi High (pH 8-9.5) 1.71 6.86 -26.95 3 11 0 119 507.473 6

Vendor Notes

Note Type Comments Provided By
Melting_Point 151-156? Alfa-Aesar
MP 151-156° Oakwood Chemical
mp 154 - 155 MolMall (formerly Molecular Diversity Preservation International)
melting_point 166 - 167 KeyOrganics
MP 166-167° Matrix Scientific
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
H phrase H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
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 R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. 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.