| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 23 | Yes |
Popular Name: 2-[[1-[(2S)-2-hydroxypropyl]-4-piperidyl]methyl-methyl-amino]-N-(2-thienylmethyl)acetamide 2-[[1-[(2S)-2-hydroxypropyl]-4-p…
| 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) | 1.78 | 6.17 | -98.07 | 4 | 5 | 2 | 58 | 341.521 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.78 | 1.85 | -8.86 | 2 | 5 | 0 | 56 | 339.505 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.78 | 4.16 | -37.64 | 3 | 5 | 1 | 57 | 340.513 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
