| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 15 | No |
Popular Name: N-methyl-2-[(2S)-1-[(3R)-tetrahydrothiophen-3-yl]-2-piperidyl]ethanamine N-methyl-2-[(2S)-1-[(3R)-tetrahy…
| 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) | 1.94 | 4.85 | -44.01 | 2 | 2 | 1 | 20 | 229.413 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.94 | 6.86 | -106.87 | 3 | 2 | 2 | 21 | 230.421 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
