| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: (3S)-1-[(1R,2S)-2-amino-1-(5-chloro-2-thienyl)propyl]piperidine-3-carboxamide (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) | 1.34 | 1.45 | -50.42 | 5 | 4 | 1 | 74 | 302.851 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | 1.18 | -9.02 | 4 | 4 | 0 | 72 | 301.843 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.34 | 3.18 | -123.63 | 6 | 4 | 2 | 75 | 303.859 | 4 | ↓ |
