| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: (3S)-1-[(1S,2S)-2-amino-1-(5-bromo-2-thienyl)butyl]piperidin-3-ol (3S)-1-[(1S,2S)-2-amino-1-(5-bro…
| 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) | 2.26 | 4.04 | -34.39 | 4 | 3 | 1 | 51 | 334.303 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.26 | 1.88 | -45.02 | 4 | 3 | 1 | 51 | 334.303 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.26 | 1.57 | -3.41 | 3 | 3 | 0 | 49 | 333.295 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.26 | 4.36 | -115.04 | 5 | 3 | 2 | 52 | 335.311 | 4 | ↓ |
