In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 16th, 2009 | 16 | Yes |
Popular Name: 2-[(3S)-6-methoxyindolin-3-yl]-N,N-dimethyl-ethanamine 2-[(3S)-6-methoxyindolin-3-yl]-N…
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) | 1.91 | 5.62 | -41.42 | 2 | 3 | 1 | 26 | 221.324 | 4 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50597-1-O | Rattus Norvegicus (cluster #1 Of 5), Other | Other | 71 | 0.63 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50597 | Z50597 | Rattus Norvegicus | 71 | 0.63 | Binding ≤ 1μM |
Z50597 | Z50597 | Rattus Norvegicus | 71 | 0.63 | Binding ≤ 10μM |