In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2009 | 15 | No |
Popular Name: 2H-pyrido[5,4-b]indole-3-carbaldehyde 2H-pyrido[5,4-b]indole-3-carbald…
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CAS Number: N/A
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) | 2.62 | 5.07 | -44.25 | 2 | 3 | 1 | 47 | 197.217 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.62 | 4.68 | -11.27 | 1 | 3 | 0 | 46 | 196.209 | 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 | 62 | 0.67 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 62.3 | 0.67 | Binding ≤ 1μM |
Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 62.3 | 0.67 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.