| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2006 | 29 | No |
Popular Name: [3-(chloromethyl)-6-hydroxy-indolin-1-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)-methanone [3-(chloromethyl)-6-hydroxy-indo…
| 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) | 3.23 | -0.86 | -13.84 | 2 | 7 | 0 | 84 | 416.861 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80133-1-O | EMT6 (Mammary Carcinoma Cells) (cluster #1 Of 3), Other | Other | 2 | 0.42 | Functional ≤ 10μM |
| Z80578-1-O | UV4 (cluster #1 Of 1), Other | Other | 1 | 0.43 | Functional ≤ 10μM |
| Z80667-1-O | AA8 (cluster #1 Of 2), Other | Other | 7 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80667 | Z80667 | AA8 | 6.5 | 0.40 | Functional ≤ 10μM |
| Z80133 | Z80133 | EMT6 (Mammary Carcinoma Cells) | 2.2 | 0.42 | Functional ≤ 10μM |
| Z80578 | Z80578 | UV4 | 1 | 0.43 | Functional ≤ 10μM |
