| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 21 | Yes |
Popular Name: (2S)-2-amino-N-methyl-N-[2-[methyl-(1-methyl-4-piperidyl)amino]ethyl]butanediamide (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) | -0.80 | -0.76 | -83.85 | 6 | 7 | 2 | 99 | 301.435 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.80 | -1.09 | -45.99 | 5 | 7 | 1 | 97 | 300.427 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.80 | 1.7 | -170.4 | 7 | 7 | 3 | 100 | 302.443 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.80 | -0.69 | -94.43 | 6 | 7 | 2 | 99 | 301.435 | 7 | ↓ |
