| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 37 | No |
Popular Name: [amino-(dodecylsulfanylmethyl)-methoxy-dioxo-BLAHyl]methyl [amino-(dodecylsulfanylmethyl)-m…
| 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) | 4.40 | 5.65 | -10.64 | 4 | 9 | 0 | 145 | 534.723 | 17 | ↓ |
| Mid Mid (pH 6-8) | 4.40 | 7.07 | -51.55 | 5 | 9 | 1 | 139 | 535.731 | 17 | ↓ |
| Mid Mid (pH 6-8) | 4.40 | 5.66 | -11.41 | 4 | 9 | 0 | 145 | 534.723 | 17 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 5500 | 0.20 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 5500 | 0.20 | Functional ≤ 10μM |
