| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 18 | Yes |
Popular Name: 0/129; AH10639; O 129; O/129; O129 0/129; AH10639; O 129; O/129; O129
Find On: PubMed — Wikipedia — Google
CAS Number: 84176-65-8
2,4-diamino-6,7-diisopropylpteridine
2,4-Diamino-6,7-diisopropylpteridine phosphate salt
| 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) | 2.09 | -4.27 | -10.7 | 4 | 6 | 0 | 103 | 246.318 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTR1-1-E | Pteridine Reductase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 240 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTR1_LEIMA | Q01782 | Pteridine Reductase 1, Leima | 240 | 0.51 | Binding ≤ 1μM |
| PTR1_LEIMA | Q01782 | Pteridine Reductase 1, Leima | 240 | 0.51 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.