| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 27 | No |
Popular Name: LS-132509 LS-132509
| 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) | 0.22 | 12.46 | -39.7 | 0 | 4 | 1 | 31 | 396.561 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 70 | 0.37 | Functional ≤ 10μM |
| Z50459-1-O | Leishmania Donovani (cluster #1 Of 8), Other | Other | 255 | 0.34 | Functional ≤ 10μM |
| Z80111-1-O | CX-1 (cluster #1 Of 1), Other | Other | 810 | 0.32 | Functional ≤ 10μM |
| Z81115-2-O | KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other | Other | 860 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80111 | Z80111 | CX-1 | 800 | 0.32 | Functional ≤ 10μM |
| Z81115 | Z81115 | KB (Squamous Cell Carcinoma) | 860 | 0.31 | Functional ≤ 10μM |
| Z50459 | Z50459 | Leishmania Donovani | 255 | 0.34 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 70 | 0.37 | Functional ≤ 10μM |
