| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 14 | Yes |
Popular Name: 5-phenylpyrimidine-2,4-diamine 5-phenylpyrimidine-2,4-diamine
Find On: PubMed — Wikipedia — Google
CAS Number: 18588-49-3
2,4-Diamino-5-phenylpyrimidine; BRN 0146163; LS-135037; Pyrimidine, 2,4-diamino-5-phenyl-
| 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) | 1.36 | 4.45 | -5.8 | 4 | 4 | 0 | 78 | 186.218 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | 4.76 | -29.46 | 5 | 4 | 1 | 79 | 187.226 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | 1.1 | -26.17 | 5 | 4 | 1 | 79 | 187.226 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRTS-1-E | Bifunctional Dihydrofolate Reductase-thymidylate Synthase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 81 | 0.71 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRTS_PLAFK | P13922 | Dihydrofolate Reductase, Plafk | 100 | 0.70 | Binding ≤ 1μM |
| DRTS_PLAFK | P13922 | Dihydrofolate Reductase, Plafk | 100 | 0.70 | Binding ≤ 10μM |
