In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 16 | Yes |
Popular Name: (2R)-2-amino-1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-4-methyl-pentan-1-one (2R)-2-amino-1-[(3R,5R)-3,5-dime…
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) | 1.80 | 5.07 | -42.95 | 3 | 3 | 1 | 48 | 227.372 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.80 | 4.74 | -6.66 | 2 | 3 | 0 | 46 | 226.364 | 3 | ↓ |