| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2008 | 39 | No |
| 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) | 3.31 | 8.28 | -19.81 | 2 | 9 | 0 | 110 | 568.099 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Indications | antineoplastic | KeyOrganics Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MET-1-E | Hepatocyte Growth Factor Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 20 | 0.28 | Binding ≤ 10μM |
| Z103342-1-O | NCI-H1993 (cluster #1 Of 1), Other | Other | 7300 | 0.18 | Functional ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 620 | 0.22 | Functional ≤ 10μM |
| Z80036-1-O | BaF3 (IL-3-dependent Pro-B-cells) (cluster #1 Of 3), Other | Other | 6400 | 0.19 | Functional ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 6200 | 0.19 | Functional ≤ 10μM |
| Z80503-1-O | SNU1 (cluster #1 Of 2), Other | Other | 7000 | 0.19 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MET_HUMAN | P08581 | Hepatocyte Growth Factor Receptor, Human | 10 | 0.29 | Binding ≤ 1μM |
| MET_HUMAN | P08581 | Hepatocyte Growth Factor Receptor, Human | 10 | 0.29 | Binding ≤ 10μM |
| Z80036 | Z80036 | BaF3 (IL-3-dependent Pro-B-cells) | 530 | 0.23 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 6200 | 0.19 | Functional ≤ 10μM |
| Z103342 | Z103342 | NCI-H1993 | 7300 | 0.18 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 228 | 0.24 | Functional ≤ 10μM |
| Z80503 | Z80503 | SNU1 | 7000 | 0.19 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Sema4D mediated inhibition of cell attachment and migration |
No pre-computed analogs available. Try a structural similarity search.