In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 20 | Yes |
Popular Name: 1-[(1R,2R)-2-amino-1-(5-methyl-2-thienyl)propyl]-N-methyl-piperidine-4-carboxamide 1-[(1R,2R)-2-amino-1-(5-methyl-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) | 1.13 | 2.63 | -46.4 | 4 | 4 | 1 | 60 | 296.46 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.13 | 2.32 | -7.62 | 3 | 4 | 0 | 58 | 295.452 | 4 | ↓ |