In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 15 | Yes |
Popular Name: (2R)-2-amino-N-[(1S)-1-methyl-2-(1-piperidyl)ethyl]propanamide (2R)-2-amino-N-[(1S)-1-methyl-2-…
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) | -0.11 | 3.1 | -97.13 | 5 | 4 | 2 | 61 | 215.341 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.08 | 0.77 | -44.66 | 4 | 4 | 1 | 67 | 214.333 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.08 | 0.39 | -27.32 | 3 | 4 | 0 | 66 | 213.325 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.11 | 2.78 | -41.04 | 4 | 4 | 1 | 60 | 214.333 | 4 | ↓ |