| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 12th, 2009 | 21 | Yes |
Popular Name: 3-[4-(3-aminopropyl)piperazin-1-yl]-N-(cyclohexylmethyl)propan-1-amine 3-[4-(3-aminopropyl)piperazin-1-…
None
| 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) | 1.30 | 5.93 | -178.5 | 6 | 4 | 3 | 52 | 299.527 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.30 | 5.93 | -174.5 | 6 | 4 | 3 | 52 | 299.527 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.30 | 3.6 | -94.85 | 5 | 4 | 2 | 51 | 298.519 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50466-1-O | Trypanosoma Cruzi (cluster #1 Of 1), Other | Other | 5000 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50466 | Z50466 | Trypanosoma Cruzi | 5000 | 0.35 | Binding ≤ 10μM |
