| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 23rd, 2009 | 24 | No |
Popular Name: 1-[(2S)-2-[2-(3-dimethylaminopropoxy)-5-nitro-phenyl]thiazolidin-3-yl]ethanone 1-[(2S)-2-[2-(3-dimethylaminopro…
| 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) | 1.90 | 9.48 | -52.98 | 1 | 7 | 1 | 80 | 354.452 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.90 | 6.96 | -14.53 | 0 | 7 | 0 | 79 | 353.444 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 4100 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512 | Z50512 | Cavia Porcellus | 4100 | 0.31 | Functional ≤ 10μM |
