UCSF

ZINC18847072

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) -2.21 4.44 -122.41 6 13 -2 225 438.404 9
Lo Low (pH 4.5-6) -2.21 4.99 -127.41 7 13 -1 226 439.412 9

Vendor Notes

Note Type Comments Provided By
Purity 95% Matrix Scientific
therap antineoplastic, antirheumatic, folic acid antagonist MicroSource World Drugs
Therapy Dihydrofolate reductase inhibitor SMDC Pharmakon
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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