| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2010 | 20 | Yes |
Popular Name: (2S)-2-(4-benzyl-1-piperidyl)-N-prop-2-ynyl-propan-1-amine (2S)-2-(4-benzyl-1-piperidyl)-N-…
| 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) | 2.84 | 9.33 | -34.18 | 2 | 2 | 1 | 16 | 271.428 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.84 | 7.5 | -2.88 | 1 | 2 | 0 | 15 | 270.42 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.84 | 10.74 | -119.09 | 3 | 2 | 2 | 21 | 272.436 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
