| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 21 | Yes |
Popular Name: (1R)-2-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]-1-(p-tolyl)ethanamine (1R)-2-[(3S)-3-(1-piperidyl)pyrr…
| 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) | 0.96 | 7.08 | -93.65 | 4 | 3 | 2 | 35 | 289.467 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.96 | 7.13 | -30.5 | 3 | 3 | 1 | 34 | 288.459 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.96 | 4.97 | -2.18 | 2 | 3 | 0 | 32 | 287.451 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.96 | 4.92 | -46.18 | 3 | 3 | 1 | 34 | 288.459 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
