| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 24 | Yes |
Popular Name: 2-[(4-fluorobenzyl)thio]-1-methyl-5-(5-pyrimidylmethyl)pyrimidin-4-one 2-[(4-fluorobenzyl)thio]-1-methy…
| 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) | 2.20 | -0.06 | -22.89 | 0 | 5 | 0 | 60 | 342.399 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PAFA-1-E | LDL-associated Phospholipase A2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 285 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PAFA_HUMAN | Q13093 | LDL-associated Phospholipase A2, Human | 285 | 0.38 | Binding ≤ 1μM |
| PAFA_HUMAN | Q13093 | LDL-associated Phospholipase A2, Human | 285 | 0.38 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis, secretion, and deacylation of Ghrelin |
