| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (3S)-1-[(1S,2R)-2-amino-1-(3-methyl-2-thienyl)butyl]piperidine-3-carboxamide (3S)-1-[(1S,2R)-2-amino-1-(3-met…
| 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) | 1.45 | 1.72 | -50.02 | 5 | 4 | 1 | 74 | 296.46 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.45 | 1.38 | -8.48 | 4 | 4 | 0 | 72 | 295.452 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.45 | 3.6 | -32.75 | 5 | 4 | 1 | 74 | 296.46 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.45 | 3.92 | -108.85 | 6 | 4 | 2 | 75 | 297.468 | 5 | ↓ |
