| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 20 | Yes |
Popular Name: (2S,3S)-2-amino-3-methyl-1-[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]pentan-1-one (2S,3S)-2-amino-3-methyl-1-[4-(p…
| 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) | 1.36 | 6.67 | -90.02 | 4 | 4 | 2 | 52 | 283.46 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 6.34 | -42.79 | 3 | 4 | 1 | 51 | 282.452 | 5 | ↓ |
