| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 31 | Yes |
Popular Name: 4-amino-3-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide 4-amino-3-methoxy-N-[2-(4-oxo-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) | 1.77 | 4.63 | -47.57 | 5 | 8 | 1 | 101 | 424.525 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 2.37 | -14.22 | 4 | 8 | 0 | 100 | 423.517 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PLD1-1-E | Phospholipase D1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5900 | 0.24 | Binding ≤ 10μM |
| PLD2-1-E | Phospholipase D2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 550 | 0.28 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PLD2_HUMAN | O14939 | Phospholipase D2, Human | 550 | 0.28 | Binding ≤ 1μM |
| PLD1_HUMAN | Q13393 | Phospholipase D1, Human | 5900 | 0.24 | Binding ≤ 10μM |
| PLD2_HUMAN | O14939 | Phospholipase D2, Human | 550 | 0.28 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Role of phospholipids in phagocytosis | |
| Synthesis of PA | |
| Synthesis of PG |
