| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (1R,2S)-1-[(3S)-3-ethoxy-1-piperidyl]-1-(3-methyl-2-thienyl)butan-2-amine (1R,2S)-1-[(3S)-3-ethoxy-1-piper…
| 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) | 2.69 | 6.98 | -31.36 | 3 | 3 | 1 | 40 | 297.488 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.69 | 5.59 | -42.31 | 3 | 3 | 1 | 40 | 297.488 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.69 | 5.17 | -2.65 | 2 | 3 | 0 | 38 | 296.48 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.69 | 7.26 | -112.12 | 4 | 3 | 2 | 41 | 298.496 | 6 | ↓ |
