| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: (1R,2S)-1-(5-bromo-2-thienyl)-1-(4-ethyl-1-piperidyl)butan-2-amine (1R,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) | 4.33 | 8.79 | -119.74 | 4 | 2 | 2 | 32 | 347.366 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.33 | 6.79 | -1.81 | 2 | 2 | 0 | 29 | 345.35 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.33 | 8.47 | -32.42 | 3 | 2 | 1 | 30 | 346.358 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.33 | 7.02 | -44.14 | 3 | 2 | 1 | 31 | 346.358 | 5 | ↓ |
