| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2009 | 17 | No |
Popular Name: (2S)-N-(3-acetylphenyl)-2-cyano-aziridine-1-carboxamide (2S)-N-(3-acetylphenyl)-2-cyano-…
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) | 1.20 | 3.79 | -30 | 1 | 5 | 0 | 73 | 229.239 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80018-2-O | A-375 (Malignant Melanoma Cells) (cluster #2 Of 4), Other | Other | 7900 | 0.42 | Functional ≤ 10μM |
| Z80193-7-O | L1210 (Lymphocytic Leukemia Cells) (cluster #7 Of 12), Other | Other | 9600 | 0.41 | Functional ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 3600 | 0.45 | Functional ≤ 10μM |
| Z80354-1-O | OVCAR-3 (Ovarian Adenocarcinoma Cells) (cluster #1 Of 4), Other | Other | 10000 | 0.41 | Functional ≤ 10μM |
| Z80433-1-O | RPMI-8226 (Multiple Myeloma Cells) (cluster #1 Of 3), Other | Other | 9600 | 0.41 | Functional ≤ 10μM |
| Z80682-2-O | A549 (Lung Carcinoma Cells) (cluster #2 Of 11), Other | Other | 5600 | 0.43 | Functional ≤ 10μM |
| Z81017-3-O | WiDr (Colon Adenocarcinoma Cells) (cluster #3 Of 5), Other | Other | 9000 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80018 | Z80018 | A-375 (Malignant Melanoma Cells) | 7900 | 0.42 | Functional ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 5600 | 0.43 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 7900 | 0.42 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 3200 | 0.45 | Functional ≤ 10μM |
| Z80354 | Z80354 | OVCAR-3 (Ovarian Adenocarcinoma Cells) | 10000 | 0.41 | Functional ≤ 10μM |
| Z80433 | Z80433 | RPMI-8226 (Multiple Myeloma Cells) | 8700 | 0.42 | Functional ≤ 10μM |
| Z81017 | Z81017 | WiDr (Colon Adenocarcinoma Cells) | 3300 | 0.45 | Functional ≤ 10μM |
