| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 16 | Yes |
Popular Name: (1R,2S)-1-(5-bromo-2-thienyl)-1-(1-piperidyl)propan-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) | 2.87 | 4.94 | -44.57 | 3 | 2 | 1 | 31 | 304.277 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.87 | 6.34 | -32.79 | 3 | 2 | 1 | 30 | 304.277 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.87 | 4.57 | -1.05 | 2 | 2 | 0 | 29 | 303.269 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.87 | 6.66 | -116.9 | 4 | 2 | 2 | 32 | 305.285 | 3 | ↓ |
