| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 21st, 2006 | 17 | Yes |
Popular Name: 2,4-Diamino-5-(3-methoxybenzyl)pyrimidine 2,4-Diamino-5-(3-methoxybenzyl)p…
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CAS Number: 59481-28-6
| 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) | 1.40 | 4.57 | -8.9 | 4 | 5 | 0 | 87 | 230.271 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 1.17 | -31.96 | 5 | 5 | 1 | 88 | 231.279 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 4.87 | -32.69 | 5 | 5 | 1 | 88 | 231.279 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DYR-1-E | Dihydrofolate Reductase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 10 | 0.66 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DYR_HUMAN | P00374 | Dihydrofolate Reductase, Human | 1000 | 0.49 | Binding ≤ 1μM |
| DYR_HUMAN | P00374 | Dihydrofolate Reductase, Human | 1000 | 0.49 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| E2F mediated regulation of DNA replication | |
| G1/S-Specific Transcription | |
| Metabolism of folate and pterines | |
| Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation |
