In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 14 | Yes |
Popular Name: (2S)-N-ethyl-N-[[(2S)-2-piperidyl]methyl]butan-2-amine (2S)-N-ethyl-N-[[(2S)-2-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) | 2.61 | 7.15 | -104.31 | 3 | 2 | 2 | 21 | 200.37 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.61 | 5.78 | -31.15 | 2 | 2 | 1 | 20 | 199.362 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.61 | 5.9 | -28.44 | 2 | 2 | 1 | 16 | 199.362 | 5 | ↓ |