In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 15 | No |
Popular Name: N-(cyanomethyl)-2-[[(2S)-tetrahydropyran-2-yl]methylamino]acetamide N-(cyanomethyl)-2-[[(2S)-tetrahy…
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) | 0.02 | 1.7 | -47.56 | 3 | 5 | 1 | 79 | 212.273 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.02 | 0.35 | -9.46 | 2 | 5 | 0 | 74 | 211.265 | 5 | ↓ |