| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2008 | 32 | Yes |
Popular Name: AMINOPTERIN AMINOPTERIN
Find On: PubMed — Wikipedia — Google
CAS Numbers: 54-62-6 , 54-62-6, 58602-66-7 , 54-62-6, 58602-66-7 [aminopterin sodium] , [54-62-6]
2-(4-((2,4-Diaminopteridin-6-yl)methylamino)-benzamido)pentanedioic acid
2-(4-((2,4-diaminopteridin-6-yl)methylamino)-benzamido)pentanedioicacid
| 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 | ↓ |
| 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 |
No pre-computed analogs available. Try a structural similarity search.