In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2010 | 16 | Yes |
Popular Name: 2-[1-[[(2S)-tetrahydropyran-2-yl]methyl]-4-piperidyl]ethanamine 2-[1-[[(2S)-tetrahydropyran-2-yl…
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) | 1.25 | 5.14 | -90.98 | 4 | 3 | 2 | 41 | 228.38 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.25 | 2.83 | -43.41 | 3 | 3 | 1 | 40 | 227.372 | 4 | ↓ |