In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 14 | Yes |
Popular Name: (2R)-N-ethyl-N-[[(3R)-3-piperidyl]methyl]butan-2-amine (2R)-N-ethyl-N-[[(3R)-3-piperidy…
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) | 2.13 | 6.81 | -93.74 | 3 | 2 | 2 | 21 | 200.37 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.13 | 5.22 | -29.34 | 2 | 2 | 1 | 16 | 199.362 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.13 | 5.38 | -37.04 | 2 | 2 | 1 | 20 | 199.362 | 5 | ↓ |