In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2010 | 15 | Yes |
Popular Name: (2R,4R)-2-methyl-1-[2-[(2S)-tetrahydrofuran-2-yl]ethyl]piperidin-4-amine (2R,4R)-2-methyl-1-[2-[(2S)-tetr…
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) | 0.22 | 2.05 | -43.16 | 3 | 3 | 1 | 40 | 213.345 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.22 | 3.85 | -30.91 | 3 | 3 | 1 | 40 | 213.345 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.22 | 4.17 | -103.52 | 4 | 3 | 2 | 41 | 214.353 | 3 | ↓ |