| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: (1R,2S)-1-[4-(dimethylaminomethyl)-1-piperidyl]-1-(3-methyl-2-thienyl)butan-2-amine (1R,2S)-1-[4-(dimethylaminomethy…
| 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) | 2.75 | 7.17 | -90.87 | 4 | 3 | 2 | 35 | 311.539 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.75 | 8.96 | -92.05 | 4 | 3 | 2 | 35 | 311.539 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.75 | 6.79 | -34.97 | 3 | 3 | 1 | 34 | 310.531 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.75 | 9.26 | -188.56 | 5 | 3 | 3 | 37 | 312.547 | 6 | ↓ |
