In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2010 | 16 | Yes |
Popular Name: 1-[(2S)-1-methyl-2-piperidyl]-N-[[(2S)-tetrahydropyran-2-yl]methyl]methanamine 1-[(2S)-1-methyl-2-piperidyl]-N-…
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) | 1.55 | 4.87 | -34.36 | 2 | 3 | 1 | 29 | 227.372 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.55 | 5.49 | -27.59 | 2 | 3 | 1 | 26 | 227.372 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.55 | 6.43 | -107.18 | 3 | 3 | 2 | 30 | 228.38 | 4 | ↓ |