| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 35 | No |
Popular Name: (2R,4R)-2-(4-dimethylaminophenyl)-N-octadecyl-thiazolidine-4-carboxamide (2R,4R)-2-(4-dimethylaminophenyl…
| 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) | 9.02 | 17.36 | -37.98 | 3 | 4 | 1 | 49 | 504.849 | 20 | ↓ |
| Mid Mid (pH 6-8) | 9.02 | 16.55 | -9.42 | 2 | 4 | 0 | 44 | 503.841 | 20 | ↓ |
| Lo Low (pH 4.5-6) | 9.02 | 17.33 | -25.3 | 3 | 4 | 0 | 46 | 504.849 | 20 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80125-1-O | DU-145 (Prostate Carcinoma) (cluster #1 Of 9), Other | Other | 5300 | 0.21 | Functional ≤ 10μM |
| Z80390-3-O | PC-3 (Prostate Carcinoma Cells) (cluster #3 Of 10), Other | Other | 6000 | 0.21 | Functional ≤ 10μM |
| Z81170-1-O | LNCaP (Prostate Carcinoma) (cluster #1 Of 5), Other | Other | 1600 | 0.23 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80125 | Z80125 | DU-145 (Prostate Carcinoma) | 5300 | 0.21 | Functional ≤ 10μM |
| Z81170 | Z81170 | LNCaP (Prostate Carcinoma) | 1600 | 0.23 | Functional ≤ 10μM |
| Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 6000 | 0.21 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
