UCSF

ZINC03830727

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) -0.67 -4.79 -11.7 3 7 0 105 246.194 1
Hi High (pH 8-9.5) -0.21 -5.98 -57.44 2 7 -1 108 245.186 1

Vendor Notes

Note Type Comments Provided By
MP 141-142° Matrix Scientific
MP 189 TCI
MP 189-191° Matrix Scientific
Purity 98% Matrix Scientific
Therapy antineoplastic, pyrimidine antimetabolite SMDC Pharmakon
Warnings IRRITANT, IRRITANT-HARMFUL Matrix Scientific
Warnings Irritant/Irritant-Harmful Matrix Scientific

Activity (Go SEA)

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