| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: (1S,2S)-1-[4-(dimethylaminomethyl)-1-piperidyl]-1-(3-methyl-2-thienyl)butan-2-amine (1S,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 | 7.2 | -83.22 | 4 | 3 | 2 | 35 | 311.539 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.75 | 9.12 | -90.37 | 4 | 3 | 2 | 35 | 311.539 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.75 | 6.9 | -34.61 | 3 | 3 | 1 | 34 | 310.531 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.75 | 9.5 | -192.69 | 5 | 3 | 3 | 37 | 312.547 | 6 | ↓ |
