| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 17th, 2004 | 25 | Yes |
Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-4-quinazolinamine N-(1,3-benzodioxol-5-ylmethyl)-6…
Find On: PubMed — Wikipedia — Google
CAS Number: 150450-66-1
| 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) | 2.43 | 6.43 | -11.86 | 1 | 7 | 0 | 75 | 339.351 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.43 | 6.9 | -37.61 | 2 | 7 | 1 | 76 | 340.359 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 232 - 234 | KeyOrganics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q864F1-1-E | Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 840 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q864F1_PIG | Q864F1 | Phosphodiesterase 5, Pig | 840 | 0.34 | Binding ≤ 1μM |
| Q864F1_PIG | Q864F1 | Phosphodiesterase 5, Pig | 840 | 0.34 | Binding ≤ 10μM |
