| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 4th, 2010 | 25 | Yes |
Popular Name: 4-[[(1S,2R)-2-[(4-carbamimidoylphenoxy)methyl]cyclopropyl]methoxy]benzamidine 4-[[(1S,2R)-2-[(4-carbamimidoylp…
| 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) | 1.55 | 5.29 | -80.81 | 8 | 6 | 2 | 122 | 340.427 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50418-2-O | Trypanosoma Brucei (cluster #2 Of 6), Other | Other | 9 | 0.45 | Functional ≤ 10μM |
| Z50594-1-O | Mus Musculus (cluster #1 Of 9), Other | Other | 45 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50594 | Z50594 | Mus Musculus | 45 | 0.41 | Functional ≤ 10μM |
| Z50418 | Z50418 | Trypanosoma Brucei | 0.17 | 0.55 | Functional ≤ 10μM |
