UCSF

ZINC04200409

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) 3.35 -0.41 -51.5 0 2 -1 40 211.649 1

Vendor Notes

Note Type Comments Provided By
MP 180 - 182 Enamine Building Blocks
Melting Point 220-223 SynQuest Building Blocks
MP 220-223° Matrix Scientific
Mp [°C] 255 - 256.7 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks
Purity >95% Matrix Scientific
Melting_Point ca 233? subl. Alfa-Aesar
Melting_Point ca 233° subl. Alfa-Aesar
H phrase H302: Harmful if swallowed Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
S phrase S22: Do not breathe dust. 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.