UCSF

ZINC18995754

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) -2.94 -1.96 -62.98 4 5 0 97 132.119 3
Hi High (pH 8-9.5) -2.94 -2.36 -41.81 3 5 -1 95 131.111 3

Vendor Notes

Note Type Comments Provided By
MP 100 - 102 Enamine Building Blocks
MP 100...102 Enamine Building Blocks
MP 220-240 °C (dec.) Indofine
Mp [°C] 262 - 264 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 99% Fluorochem
Melting_Point ca 220? dec. Alfa-Aesar
Melting_Point ca 220° dec. Alfa-Aesar
Patent Database Links EP0781781; EP1586625; EP1674098; EP1790334; EP1935435; US2002155496; US2006062751; US2007196350; US2007197427; US2007207956; US2007212302; US2007212358; US2007243132; US2008193377; WO2007101005; WO2007113499; WO2007127330 ChEBI
UniProt Database Links FBRL_YEAST; GAR1_YEAST; MVP_BCMNN; MVP_BTMV; MVP_BYMV; MVP_LMV0; MVP_LMVE; MVP_PEMVC; MVP_PEMVM; MVP_PPVD; MVP_PPVNA; MVP_PPVSK; MVP_PRSVH; MVP_PSBMV; MVP_PVMA; MVP_PVYHU; MVP_PVYN; MVP_SBMVG; MVP_SBMVN; MVP_TEV; MVP_TUMVJ; MVP_TUMVQ; MVP_TVMV; MVP_ZYMVC ChEBI
SOLUBILITY H2O: 1 M at 20 °C, clear, colorless Indofine
Notes Ph.Eur, Pyrogen free Apollo Scientific Bioactives
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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