| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 24th, 2009 | 16 | Yes |
Popular Name: prop-2-ynyl prop-2-ynyl
| 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) | 1.80 | 7.83 | -12.46 | 0 | 4 | 0 | 53 | 218.208 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80224-12-O | MCF7 (Breast Carcinoma Cells) (cluster #12 Of 14), Other | Other | 9100 | 0.44 | Functional ≤ 10μM |
| Z81252-7-O | MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #7 Of 11), Other | Other | 9100 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 9100 | 0.44 | Functional ≤ 10μM |
| Z81252 | Z81252 | MDA-MB-231 (Breast Adenocarcinoma Cells) | 9100 | 0.44 | Functional ≤ 10μM |
