In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 25th, 2006 | 40 | Yes |
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) | 9.01 | -2.51 | -53.49 | 4 | 4 | 2 | 52 | 528.744 | 13 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50597-10-O | Rattus Norvegicus (cluster #10 Of 12), Other | Other | 6700 | 0.18 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50597 | Z50597 | Rattus Norvegicus | 6700 | 0.18 | Functional ≤ 10μM |