| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2009 | 10 | No |
Popular Name: 1-Aziridinecarboxamide, 2-cyano-N-ethyl- (9CI) 1-Aziridinecarboxamide, 2-cyano-…
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CAS Number: 219501-40-3
| 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) | 0.00 | 0.53 | -18.05 | 1 | 4 | 0 | 56 | 139.158 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80224-13-O | MCF7 (Breast Carcinoma Cells) (cluster #13 Of 14), Other | Other | 10000 | 0.70 | Functional ≤ 10μM |
| Z81017-3-O | WiDr (Colon Adenocarcinoma Cells) (cluster #3 Of 5), Other | Other | 7000 | 0.72 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 10000 | 0.70 | Functional ≤ 10μM |
| Z81017 | Z81017 | WiDr (Colon Adenocarcinoma Cells) | 4000 | 0.76 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.