In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 15 | Yes |
Popular Name: 3-[[(1S)-1-(1-ethyl-4-piperidyl)ethyl]amino]propanenitrile 3-[[(1S)-1-(1-ethyl-4-piperidyl)…
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) | 1.06 | 6.87 | -110.66 | 3 | 3 | 2 | 45 | 211.353 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.06 | 5.82 | -39.28 | 2 | 3 | 1 | 40 | 210.345 | 5 | ↓ |