In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2010 | 15 | Yes |
Popular Name: [(2S,3S)-3-methyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-piperidyl]methanamine [(2S,3S)-3-methyl-1-[[(2S)-tetra…
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) | 0.66 | 2.76 | -42.93 | 3 | 3 | 1 | 40 | 213.345 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.66 | 4.26 | -25.13 | 3 | 3 | 1 | 40 | 213.345 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.66 | 4.7 | -116.46 | 4 | 3 | 2 | 41 | 214.353 | 3 | ↓ |