| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: (3R,6S)-1-[(1R,2R)-2-amino-1-(5-bromo-2-thienyl)butyl]-6-methyl-piperidine-3-carboxamide (3R,6S)-1-[(1R,2R)-2-amino-1-(5-…
| 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) | 2.33 | 2.93 | -41.02 | 5 | 4 | 1 | 74 | 375.356 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.33 | 2.62 | -5.18 | 4 | 4 | 0 | 72 | 374.348 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.33 | 3.94 | -28.31 | 5 | 4 | 1 | 74 | 375.356 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.33 | 4.24 | -101.94 | 6 | 4 | 2 | 75 | 376.364 | 5 | ↓ |
