In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2010 | 18 | Yes |
Popular Name: N-[[(2S)-1-(2-pyridylmethyl)-2-piperidyl]methyl]propan-2-amine N-[[(2S)-1-(2-pyridylmethyl)-2-p…
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) | 1.92 | 6.01 | -31.71 | 2 | 3 | 1 | 33 | 248.394 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.92 | 7.93 | -105.06 | 3 | 3 | 2 | 34 | 249.402 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.92 | 6.78 | -90.05 | 3 | 3 | 2 | 34 | 249.402 | 5 | ↓ |