In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 18th, 2009 | 17 | Yes |
Popular Name: 3-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)aniline 3-(3-methyl-[1,2,4]triazolo[3,4-…
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) | 1.07 | 5.29 | -13.46 | 2 | 5 | 0 | 69 | 225.255 | 1 | ↓ |
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 | 510 | 0.52 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 510 | 0.52 | Binding ≤ 1μM |
Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 510 | 0.52 | Binding ≤ 10μM |