| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 25 | Yes |
Popular Name: [amino-[4-[5-[4-[amino(iminio)methyl]anilino]pentylamino]phenyl]methylene]ammonium [amino-[4-[5-[4-[amino(iminio)me…
| 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) | 1.10 | -7.79 | -66.89 | 10 | 6 | 2 | 127 | 340.475 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRY1-1-E | Trypsin I (cluster #1 Of 5), Eukaryotic | Eukaryotes | 1400 | 0.33 | Binding ≤ 10μM |
| Z50426-1-O | Plasmodium Falciparum (isolate K1 / Thailand) (cluster #1 Of 9), Other | Other | 6 | 0.46 | Functional ≤ 10μM |
| Z50459-8-O | Leishmania Donovani (cluster #8 Of 8), Other | Other | 502 | 0.35 | Functional ≤ 10μM |
| Z50725-1-O | Trypanosoma Brucei Rhodesiense (cluster #1 Of 7), Other | Other | 1 | 0.50 | Functional ≤ 10μM |
| Z81135-3-O | L6 (Skeletal Muscle Myoblast Cells) (cluster #3 Of 6), Other | Other | 950 | 0.34 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRY1_HUMAN | P07477 | Trypsin I, Human | 1400 | 0.33 | Binding ≤ 10μM |
| Z50459 | Z50459 | Leishmania Donovani | 502 | 0.35 | Functional ≤ 10μM |
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 6 | 0.46 | Functional ≤ 10μM |
| Z50725 | Z50725 | Trypanosoma Brucei Rhodesiense | 1 | 0.50 | Functional ≤ 10μM |
| Z81135 | Z81135 | L6 (Skeletal Muscle Myoblast Cells) | 950 | 0.34 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Cobalamin (Cbl, vitamin B12) transport and metabolism |
