| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 24 | Yes |
Popular Name: 3-[2-[[1-[(2R)-2-hydroxypropyl]-4-piperidyl]methyl-methyl-amino]ethoxy]benzonitrile 3-[2-[[1-[(2R)-2-hydroxypropyl]-…
| 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) | 2.29 | 8.62 | -100.77 | 3 | 5 | 2 | 62 | 333.476 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 6.35 | -46.97 | 2 | 5 | 1 | 61 | 332.468 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 4.22 | -8.53 | 1 | 5 | 0 | 60 | 331.46 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 6.47 | -37.8 | 2 | 5 | 1 | 61 | 332.468 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
