In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 26th, 2008 | 19 | No |
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) | 0.69 | 6.51 | -13.88 | 1 | 7 | 0 | 90 | 264.285 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.69 | 7 | -54.06 | 2 | 7 | 1 | 91 | 265.293 | 5 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50512-5-O | Cavia Porcellus (cluster #5 Of 7), Other | Other | 3500 | 0.40 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50512 | Z50512 | Cavia Porcellus | 3500 | 0.40 | Functional ≤ 10μM |