| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 23 | Yes |
Popular Name: methyl methyl
| 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) | 4.13 | 1.81 | -10.68 | 1 | 5 | 0 | 65 | 316.353 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80035-5-O | B16 (Melanoma Cells) (cluster #5 Of 7), Other | Other | 269 | 0.40 | Functional ≤ 10μM |
| Z80186-6-O | K562 (Erythroleukemia Cells) (cluster #6 Of 11), Other | Other | 218 | 0.41 | Functional ≤ 10μM |
| Z80193-1-O | L1210 (Lymphocytic Leukemia Cells) (cluster #1 Of 12), Other | Other | 415 | 0.39 | Functional ≤ 10μM |
| Z80211-1-O | LoVo (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other | Other | 185 | 0.41 | Functional ≤ 10μM |
| Z80224-12-O | MCF7 (Breast Carcinoma Cells) (cluster #12 Of 14), Other | Other | 19 | 0.47 | Functional ≤ 10μM |
| Z80244-4-O | MDA-MB-468 (Breast Adenocarcinoma) (cluster #4 Of 7), Other | Other | 47 | 0.45 | Functional ≤ 10μM |
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 338 | 0.39 | Functional ≤ 10μM |
| Z80461-1-O | SCL-1 (cluster #1 Of 1), Other | Other | 383 | 0.39 | Functional ≤ 10μM |
| Z80475-3-O | SK-BR-3 (Breast Adenocarcinoma) (cluster #3 Of 3), Other | Other | 31 | 0.46 | Functional ≤ 10μM |
| Z80566-1-O | U-937 (Histiocytic Lymphoma Cells) (cluster #1 Of 2), Other | Other | 320 | 0.40 | Functional ≤ 10μM |
| Z80852-1-O | A-431 (Epidermoid Carcinoma Cells) (cluster #1 Of 3), Other | Other | 213 | 0.41 | Functional ≤ 10μM |
| Z80901-1-O | HaCaT (Keratinocytes) (cluster #1 Of 2), Other | Other | 47 | 0.45 | Functional ≤ 10μM |
| Z81115-1-O | KB (Squamous Cell Carcinoma) (cluster #1 Of 6), Other | Other | 192 | 0.41 | Functional ≤ 10μM |
| Z81247-2-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #2 Of 9), Other | Other | 470 | 0.39 | Functional ≤ 10μM |
| Z81252-7-O | MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #7 Of 11), Other | Other | 428 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80852 | Z80852 | A-431 (Epidermoid Carcinoma Cells) | 213 | 0.41 | Functional ≤ 10μM |
| Z80035 | Z80035 | B16 (Melanoma Cells) | 269 | 0.40 | Functional ≤ 10μM |
| Z80901 | Z80901 | HaCaT (Keratinocytes) | 40 | 0.45 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 470 | 0.39 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 217.5 | 0.41 | Functional ≤ 10μM |
| Z81115 | Z81115 | KB (Squamous Cell Carcinoma) | 191.5 | 0.41 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 415 | 0.39 | Functional ≤ 10μM |
| Z80211 | Z80211 | LoVo (Colon Adenocarcinoma Cells) | 185 | 0.41 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 19 | 0.47 | Functional ≤ 10μM |
| Z81252 | Z81252 | MDA-MB-231 (Breast Adenocarcinoma Cells) | 427.5 | 0.39 | Functional ≤ 10μM |
| Z80244 | Z80244 | MDA-MB-468 (Breast Adenocarcinoma) | 46.5 | 0.45 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 337.5 | 0.39 | Functional ≤ 10μM |
| Z80461 | Z80461 | SCL-1 | 383 | 0.39 | Functional ≤ 10μM |
| Z80475 | Z80475 | SK-BR-3 (Breast Adenocarcinoma) | 31 | 0.46 | Functional ≤ 10μM |
| Z80566 | Z80566 | U-937 (Histiocytic Lymphoma Cells) | 320 | 0.40 | Functional ≤ 10μM |
