In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 14 | Yes |
Popular Name: [(2R)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-piperidyl]methanamine [(2R)-1-[[(2S)-tetrahydrofuran-2…
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) | 0.42 | 1.21 | -43.47 | 3 | 3 | 1 | 40 | 199.318 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.42 | 3.46 | -26.5 | 3 | 3 | 1 | 40 | 199.318 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.42 | 3.78 | -115.49 | 4 | 3 | 2 | 41 | 200.326 | 3 | ↓ |