In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2010 | 18 | Yes |
Popular Name: N-[[(2S)-1-(2-pyridylmethyl)-2-piperidyl]methyl]cyclopropanamine 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) | 1.62 | 6.19 | -31.36 | 2 | 3 | 1 | 33 | 246.378 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.62 | 8.14 | -105.31 | 3 | 3 | 2 | 34 | 247.386 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.62 | 6.86 | -89.76 | 3 | 3 | 2 | 34 | 247.386 | 5 | ↓ |