In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2010 | 16 | Yes |
Popular Name: 1-ethyl-N-methyl-N-[(3R)-3-piperidyl]piperidin-4-amine 1-ethyl-N-methyl-N-[(3R)-3-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) | 0.96 | 3.14 | -31.25 | 2 | 3 | 1 | 20 | 226.388 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.96 | 4.46 | -106.93 | 3 | 3 | 2 | 24 | 227.396 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.96 | 3.2 | -31.84 | 2 | 3 | 1 | 20 | 226.388 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.96 | 4.52 | -88 | 3 | 3 | 2 | 24 | 227.396 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.96 | 5.38 | -95.18 | 3 | 3 | 2 | 21 | 227.396 | 3 | ↓ |