| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2006 | 34 | No |
Popular Name: (chloromethyl-methylamino-BLAHyl)-(5,6,7-trimethoxy-1H-indol-2-yl)-methanone (chloromethyl-methylamino-BLAHyl…
None
| 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) | 4.67 | -0.24 | -12.29 | 2 | 7 | 0 | 75 | 479.964 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81017-1-O | WiDr (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z81037-1-O | Human Ovarian Carcinoma Cell Line (cluster #1 Of 1), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z81264-1-O | V79 (Lung Fibroblasts) (cluster #1 Of 2), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z81270-1-O | Mouse Mammary Carcinoma Cell Line (cluster #1 Of 1), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81037 | Z81037 | Human Ovarian Carcinoma Cell Line | 0.2 | 0.40 | Functional ≤ 10μM |
| Z81270 | Z81270 | Mouse Mammary Carcinoma Cell Line | 0.11 | 0.41 | Functional ≤ 10μM |
| Z81264 | Z81264 | V79 (Lung Fibroblasts) | 0.1 | 0.41 | Functional ≤ 10μM |
| Z81017 | Z81017 | WiDr (Colon Adenocarcinoma Cells) | 0.2 | 0.40 | Functional ≤ 10μM |
