| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 14th, 2010 | 22 | Yes |
Popular Name: methyl methyl
| 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) | 3.60 | 4.91 | -11.01 | 2 | 5 | 0 | 76 | 302.326 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.60 | 5.91 | -53.32 | 1 | 5 | -1 | 79 | 301.318 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80901-1-O | HaCaT (Keratinocytes) (cluster #1 Of 2), Other | Other | 8700 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80901 | Z80901 | HaCaT (Keratinocytes) | 8700 | 0.32 | Functional ≤ 10μM |
