In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 21 | Yes |
Popular Name: (3R,6S)-1-[(1R,2S)-2-amino-1-(p-tolyl)propyl]-6-methyl-piperidine-3-carboxamide (3R,6S)-1-[(1R,2S)-2-amino-1-(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) | 1.41 | 2.77 | -45.34 | 5 | 4 | 1 | 74 | 290.431 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.41 | 3.9 | -28.84 | 5 | 4 | 1 | 74 | 290.431 | 4 | ↓ |