In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 16 | Yes |
Popular Name: (1S,2R)-2-[(3S)-3-ethoxy-1-piperidyl]-N-methyl-cyclopentanamine (1S,2R)-2-[(3S)-3-ethoxy-1-piper…
None
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) | 1.76 | 6.81 | -110.51 | 3 | 3 | 2 | 30 | 228.38 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.76 | 5.19 | -33 | 2 | 3 | 1 | 29 | 227.372 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.76 | 4.71 | -0.95 | 1 | 3 | 0 | 24 | 226.364 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.76 | 6.33 | -29.41 | 2 | 3 | 1 | 26 | 227.372 | 4 | ↓ |