In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2010 | 16 | Yes |
Popular Name: (2S,4S)-N,2-dimethyl-1-[2-[(2S)-tetrahydrofuran-2-yl]ethyl]piperidin-4-amine (2S,4S)-N,2-dimethyl-1-[2-[(2S)-…
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) | 1.13 | 3.76 | -37.73 | 2 | 3 | 1 | 29 | 227.372 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.13 | 4.61 | -30.4 | 2 | 3 | 1 | 26 | 227.372 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.13 | 5.88 | -98.25 | 3 | 3 | 2 | 30 | 228.38 | 4 | ↓ |