| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: (3S)-1-[(1R,2S)-2-amino-1-(5-chloro-2-thienyl)butyl]piperidin-3-ol (3S)-1-[(1R,2S)-2-amino-1-(5-chl…
| 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) | 2.13 | 3.76 | -35.3 | 4 | 3 | 1 | 51 | 289.852 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.12 | 2.34 | -46.61 | 4 | 3 | 1 | 51 | 289.852 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.12 | 1.98 | -3.45 | 3 | 3 | 0 | 49 | 288.844 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.13 | 4.04 | -119.03 | 5 | 3 | 2 | 52 | 290.86 | 4 | ↓ |
