In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 20 | Yes |
Popular Name: 2-[4-[[(1R)-1-[(3S)-1-methyl-3-piperidyl]ethyl]amino]-1-piperidyl]acetamide 2-[4-[[(1R)-1-[(3S)-1-methyl-3-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) | 0.38 | 2.59 | -102.16 | 5 | 5 | 2 | 67 | 284.448 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.38 | 0.33 | -40.66 | 4 | 5 | 1 | 66 | 283.44 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.38 | 3.85 | -82.83 | 5 | 5 | 2 | 64 | 284.448 | 5 | ↓ |