| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2004 | 34 | No |
Popular Name: 1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-1-piperonyl-3-(p-tolyl)thiourea 1-[(2-keto-8-methyl-1H-quinolin-…
| 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) | 4.28 | 13.2 | -12.91 | 2 | 6 | 0 | 67 | 471.582 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PLM2-1-E | Plasmepsin 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7000 | 0.21 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PLM2_PLAFA | P46925 | Plasmepsin 2, Plafa | 4600 | 0.22 | Binding ≤ 10μM |
