| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2008 | 27 | No |
Popular Name: [amino-(ethylsulfanylmethyl)-methoxy-dioxo-BLAHyl]methyl [amino-(ethylsulfanylmethyl)-met…
| 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) | -0.70 | -2.18 | -10.96 | 4 | 9 | 0 | 145 | 394.453 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.70 | -0.69 | -53.22 | 5 | 9 | 1 | 139 | 395.461 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.70 | -2.17 | -11.8 | 4 | 9 | 0 | 145 | 394.453 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 2200 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 2200 | 0.29 | Functional ≤ 10μM |
