| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2011 | 23 | Yes |
Popular Name: 2-[(3R)-3-[1-(2-dimethylaminoethyl)-4-ethyl-5-oxo-1,2,4-triazol-3-yl]-1-piperidyl]acetic 2-[(3R)-3-[1-(2-dimethylaminoeth…
| 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) | -1.58 | 9.75 | -75.03 | 2 | 8 | 1 | 89 | 326.421 | 7 | ↓ |
| Hi High (pH 8-9.5) | -1.58 | 7.58 | -67.71 | 1 | 8 | 0 | 88 | 325.413 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
