| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2009 | 23 | No |
Popular Name: N-[3-[(6-dimethylamino-8-hydroxy-purin-9-yl)methyl]phenyl]formamide N-[3-[(6-dimethylamino-8-hydroxy…
None
| 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) | 1.38 | 4.28 | -18.74 | 2 | 8 | 0 | 96 | 312.333 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 3.43 | -50.9 | 1 | 8 | -1 | 99 | 311.325 | 4 | ↓ |
| 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 | 130 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 130 | 0.42 | Binding ≤ 1μM |
| Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 130 | 0.42 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
