In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2010 | 20 | Yes |
Popular Name: (2R,4S)-1-[(1-ethyl-4-piperidyl)methyl]-2-methyl-N-propyl-piperidin-4-amine (2R,4S)-1-[(1-ethyl-4-piperidyl)…
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) | 2.91 | 8.06 | -79.06 | 3 | 3 | 2 | 24 | 283.504 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.90 | 8.73 | -92.23 | 3 | 3 | 2 | 21 | 283.504 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.91 | 9.88 | -174.69 | 4 | 3 | 3 | 25 | 284.512 | 6 | ↓ |