In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 20 | Yes |
Popular Name: (1R,2S)-2-[(3S)-3-ethoxy-1-piperidyl]-N-methyl-1-phenyl-propan-1-amine (1R,2S)-2-[(3S)-3-ethoxy-1-piper…
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) | 2.79 | 8.64 | -115.76 | 3 | 3 | 2 | 30 | 278.44 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.79 | 4.16 | -2.67 | 1 | 3 | 0 | 24 | 276.424 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.79 | 8.52 | -37.97 | 2 | 3 | 1 | 29 | 277.432 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.79 | 6.46 | -30.81 | 2 | 3 | 1 | 26 | 277.432 | 6 | ↓ |