In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 25th, 2008 | 18 | 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) | 2.07 | 2.54 | -50.19 | 0 | 6 | -1 | 80 | 242.214 | 2 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z104301-1-O | GABA-A Receptor; Anion Channel (cluster #1 Of 8), Other | Other | 22 | 0.60 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 22 | 0.60 | Binding ≤ 1μM |
Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 22 | 0.60 | Binding ≤ 10μM |