UCSF

ZINC21298678

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) 1.84 2.84 -3.63 0 2 0 26 148.98 0

Vendor Notes

Note Type Comments Provided By
BP 190° Matrix Scientific
Melting_Point 48-55? Alfa-Aesar
MP 48-55° Matrix Scientific
MP 55 - 57 Enamine Building Blocks
MP 55...57 Enamine Building Blocks
MP 56 - 57 Enamine Building Blocks
MP 57 - 57 Enamine Building Blocks
MP 57 - 59 Enamine Building Blocks
MP 57° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
H phrase H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT, LACHRYMATOR, AVOID SKIN CONTACT Matrix Scientific
Warnings Irritant/Lachrymator/Avoid Skin Contact Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing; P305 + P35 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.