| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 28 | No |
Popular Name: (allylsulfanylmethyl-amino-methoxy-dioxo-BLAHyl)methyl (allylsulfanylmethyl-amino-metho…
| 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) | -0.43 | -1.74 | -11.33 | 4 | 9 | 0 | 145 | 406.464 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.43 | -0.3 | -52.34 | 5 | 9 | 1 | 139 | 407.472 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.43 | -1.73 | -12.13 | 4 | 9 | 0 | 145 | 406.464 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 2300 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 2300 | 0.28 | Functional ≤ 10μM |
