| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 23 | Yes |
Popular Name: 2-benzylsulfanyl-1-methyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one 2-benzylsulfanyl-1-methyl-5-(pyr…
| 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) | 2.04 | 9.07 | -22.99 | 0 | 5 | 0 | 61 | 324.409 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.04 | 9.98 | -43.82 | 1 | 5 | 1 | 62 | 325.417 | 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 | 660 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PAFA_HUMAN | Q13093 | LDL-associated Phospholipase A2, Human | 660 | 0.38 | Binding ≤ 1μM |
| PAFA_HUMAN | Q13093 | LDL-associated Phospholipase A2, Human | 660 | 0.38 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis, secretion, and deacylation of Ghrelin |
