| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2009 | 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) | 3.15 | 0.24 | -18.31 | 5 | 10 | 0 | 150 | 570.385 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | REBD_NOCAE; REBG_NOCAE; REBH_NOCAE; REBMT_NOCAE; REBO_NOCAE | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80035-1-O | B16 (Melanoma Cells) (cluster #1 Of 7), Other | Other | 480 | 0.23 | Functional ≤ 10μM |
| Z80076-1-O | CEM-SS (T-cell Leukemia) (cluster #1 Of 5), Other | Other | 520 | 0.23 | Functional ≤ 10μM |
| Z80166-1-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other | Other | 300 | 0.23 | Functional ≤ 10μM |
| Z80186-1-O | K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other | Other | 6000 | 0.19 | Functional ≤ 10μM |
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 140 | 0.25 | Functional ≤ 10μM |
| Z80362-6-O | P388 (Lymphoma Cells) (cluster #6 Of 8), Other | Other | 500 | 0.23 | Functional ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 300 | 0.23 | Functional ≤ 10μM |
| Z81331-1-O | SW-620 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other | Other | 4000 | 0.19 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 300 | 0.23 | Functional ≤ 10μM |
| Z80035 | Z80035 | B16 (Melanoma Cells) | 480 | 0.23 | Functional ≤ 10μM |
| Z80076 | Z80076 | CEM-SS (T-cell Leukemia) | 520 | 0.23 | Functional ≤ 10μM |
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 300 | 0.23 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 200 | 0.24 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 100 | 0.25 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 1220 | 0.21 | Functional ≤ 10μM |
| Z81331 | Z81331 | SW-620 (Colon Adenocarcinoma Cells) | 4000 | 0.19 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.