| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 22 | No |
Popular Name: 2-(diethylamino)-1-[(3S)-3-(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)-1-piperidyl]ethanone 2-(diethylamino)-1-[(3S)-3-(4-et…
| 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) | 0.43 | 9.37 | -51.45 | 2 | 6 | 1 | 58 | 326.49 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.16 | 7.46 | -52.22 | 0 | 6 | -1 | 54 | 324.474 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 9.51 | -74.81 | 1 | 6 | 0 | 55 | 325.482 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
