| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 12th, 2009 | 28 | Yes |
Popular Name: N-(cyclohexylmethyl)-3-[4-[3-(cyclohexylmethylamino)propyl]piperazin-1-yl]propan-1-amine N-(cyclohexylmethyl)-3-[4-[3-(cy…
| 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) | 4.22 | 12.02 | -182.07 | 5 | 4 | 3 | 41 | 395.7 | 12 | ↓ |
| Hi High (pH 8-9.5) | 4.22 | 8.29 | -42.39 | 3 | 4 | 1 | 35 | 393.684 | 12 | ↓ |
| Mid Mid (pH 6-8) | 4.22 | 9.69 | -94.7 | 4 | 4 | 2 | 40 | 394.692 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50466-6-O | Trypanosoma Cruzi (cluster #6 Of 8), Other | Other | 5000 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50466 | Z50466 | Trypanosoma Cruzi | 5000 | 0.27 | Functional ≤ 10μM |
