UCSF

ZINC54954737

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) 0.69 2.1 -3.44 2 3 0 52 145.202 4

Vendor Notes

Note Type Comments Provided By
MP 128 - 130 Enamine Building Blocks
MP 128...130 Enamine Building Blocks
MP 135 - 137 Enamine Building Blocks
MP 135...137 Enamine Building Blocks
Mp [°C] 145 - 155 Acros Organics
MP 148-150°(dec.) Fluorochem
Melting_Point 149-151? Alfa-Aesar
Melting_Point 149-151° Alfa-Aesar
MP 151-153 °C(lit.) Indofine
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
SOLUBILITY H2O: 50 mg/mL, clear, colorless Indofine
Warnings IRRITANT Matrix Scientific
UniProt Database Links LCMT1_ASHGO; LCMT1_ASPFU; LCMT1_BOVIN; LCMT1_CAEBR; LCMT1_CAEEL; LCMT1_CANAL; LCMT1_CANGA; LCMT1_CRYNB; LCMT1_CRYNJ; LCMT1_DEBHA; LCMT1_EMENI; LCMT1_GIBZE; LCMT1_HUMAN; LCMT1_KLULA; LCMT1_NEUCR; LCMT1_RAT; LCMT1_SCHPO; LCMT1_USTMA; LCMT1_YARLI; LCMT1_YEAS ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.