| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 17 | Yes |
Popular Name: (3S)-1-[(1R,2S)-2-amino-1-(5-bromo-2-thienyl)propyl]piperidin-3-ol (3S)-1-[(1R,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) | 1.72 | 3.01 | -35.29 | 4 | 3 | 1 | 51 | 320.276 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 1.34 | -3.29 | 3 | 3 | 0 | 49 | 319.268 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 1.5 | -47.17 | 4 | 3 | 1 | 51 | 320.276 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.72 | 3.3 | -119.67 | 5 | 3 | 2 | 52 | 321.284 | 3 | ↓ |
