In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 20 | Yes |
Popular Name: (2S)-2-amino-N-methyl-N-[2-[methyl-(1-methyl-4-piperidyl)amino]ethyl]pentanamide (2S)-2-amino-N-methyl-N-[2-[meth…
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) | 0.41 | 3.87 | -86.73 | 4 | 5 | 2 | 56 | 286.464 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.41 | 3.58 | -37.73 | 3 | 5 | 1 | 54 | 285.456 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.41 | 6.34 | -171.39 | 5 | 5 | 3 | 57 | 287.472 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.41 | 3.94 | -95.42 | 4 | 5 | 2 | 56 | 286.464 | 7 | ↓ |