| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2005 | 24 | No |
Popular Name: CC(=O)[C@H]1CC[C@H]2[C@@]1(CC(=O)[C@H]3[C@@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C CC(=O)[C@H]1CC[C@H]2[C@@]1(CC(=O…
| 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) | 3.07 | -0.08 | -8.27 | 1 | 3 | 0 | 54 | 332.484 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104301-2-O | GABA-A Receptor; Anion Channel (cluster #2 Of 8), Other | Other | 423 | 0.37 | Binding ≤ 10μM |
| Z104301-2-O | GABA-A Receptor; Anion Channel (cluster #2 Of 8), Other | Other | 538 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 423 | 0.37 | Binding ≤ 1μM |
| Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 423 | 0.37 | Binding ≤ 10μM |
