| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2009 | 24 | No |
Popular Name: 1-(dimethylaminomethylBLAHyl)-N,N-dimethyl-methanamine 1-(dimethylaminomethylBLAHyl)-N,…
| 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) | 3.87 | 14.44 | -107.62 | 2 | 2 | 2 | 9 | 322.496 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.87 | 13.32 | -31.62 | 1 | 2 | 1 | 8 | 321.488 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 4000 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 2000 | 0.33 | Functional ≤ 10μM |
