UCSF

ZINC03830318

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) 0.76 2.3 -49.32 2 5 -1 81 243.308 5
Lo Low (pH 4.5-6) 0.76 0.33 -11.99 3 5 0 78 244.316 5

Vendor Notes

Note Type Comments Provided By
Melting_Point 224-226? Alfa-Aesar
Melting_Point 224-226° Alfa-Aesar
MP 230 - 232 Enamine Building Blocks
MP 230...232 Enamine Building Blocks
MP 232° (dec) Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific
Therapy vitamin B complex SMDC Pharmakon

Activity (Go SEA)

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