In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 18 | Yes |
Popular Name: (1R)-1-[(3R)-1-ethyl-3-piperidyl]-N-[[(2S)-tetrahydropyran-2-yl]methyl]ethanamine (1R)-1-[(3R)-1-ethyl-3-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) | 2.49 | 7.57 | -94.01 | 3 | 3 | 2 | 30 | 256.434 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.49 | 6.52 | -31.68 | 2 | 3 | 1 | 26 | 255.426 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.49 | 5.35 | -35.33 | 2 | 3 | 1 | 29 | 255.426 | 5 | ↓ |