In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 4th, 2009 | 20 | Yes |
Popular Name: 2-(3,4-dimethoxyphenyl)-N-[[(2S)-tetrahydropyran-2-yl]methyl]ethanamine 2-(3,4-dimethoxyphenyl)-N-[[(2S)…
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) | 2.08 | 6.39 | -46.58 | 2 | 4 | 1 | 44 | 280.388 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.08 | 4.98 | -7.28 | 1 | 4 | 0 | 40 | 279.38 | 7 | ↓ |