| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2008 | 18 | Yes |
Popular Name: N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-phenyl-methanamine N-[[2-(aminomethyl)phenyl]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) | 2.28 | 8.15 | -123.59 | 4 | 2 | 2 | 32 | 242.366 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.28 | 5.72 | -2.85 | 2 | 2 | 0 | 29 | 240.35 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.28 | 6.11 | -48.44 | 3 | 2 | 1 | 31 | 241.358 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.28 | 7.75 | -38.65 | 3 | 2 | 1 | 30 | 241.358 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 4100 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 4100 | 0.42 | Functional ≤ 10μM |
