| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2008 | 43 | No |
Popular Name: methyl methyl
| 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) | 4.55 | 14.97 | -24.66 | 3 | 9 | 0 | 125 | 591.749 | 14 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| RENI-1-E | Renin (cluster #1 Of 1), Eukaryotic | Eukaryotes | 23 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| RENI_HUMAN | P00797 | Renin, Human | 23 | 0.25 | Binding ≤ 1μM |
| RENI_HUMAN | P00797 | Renin, Human | 23 | 0.25 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Metabolism of Angiotensinogen to Angiotensins |
![N-[2-(2-cyclohexylethylamino)-2-keto-ethyl]-2-(1-ketoisoindolin-2-yl)-3-phenyl-propionamide](http://zinc12.docking.org/img/rings/237573.gif)
