| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (3S)-1-[(1S,2R)-2-amino-1-(5-chloro-2-thienyl)butyl]piperidine-3-carboxamide (3S)-1-[(1S,2R)-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) | 1.87 | 2.32 | -44.66 | 5 | 4 | 1 | 74 | 316.878 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.87 | 1.27 | -8.31 | 4 | 4 | 0 | 72 | 315.87 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.87 | 3.7 | -35.66 | 5 | 4 | 1 | 74 | 316.878 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.87 | 4.04 | -116.88 | 6 | 4 | 2 | 75 | 317.886 | 5 | ↓ |
