| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: (1S,2S)-1-(5-bromo-2-thienyl)-1-[4-(dimethylaminomethyl)-1-piperidyl]butan-2-amine (1S,2S)-1-(5-bromo-2-thienyl)-1-…
| 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) | 3.30 | 7.75 | -87.74 | 4 | 3 | 2 | 35 | 376.408 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.30 | 9.37 | -97.46 | 4 | 3 | 2 | 35 | 376.408 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.30 | 7.36 | -35.2 | 3 | 3 | 1 | 34 | 375.4 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.30 | 9.69 | -196.21 | 5 | 3 | 3 | 37 | 377.416 | 6 | ↓ |
