| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 21 | Yes |
Popular Name: 1-[(1R,2R)-2-amino-1-(4-bromo-2-thienyl)butyl]-N-methyl-piperidine-4-carboxamide 1-[(1R,2R)-2-amino-1-(4-bromo-2-…
| 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) | 2.18 | 3.29 | -48.21 | 4 | 4 | 1 | 60 | 375.356 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 2.98 | -7.05 | 3 | 4 | 0 | 58 | 374.348 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.18 | 5.81 | -131.9 | 5 | 4 | 2 | 61 | 376.364 | 5 | ↓ |
