In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 13 | Yes |
Popular Name: 4-[[(2R)-tetrahydropyran-2-yl]methylamino]butanenitrile 4-[[(2R)-tetrahydropyran-2-yl]me…
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) | 0.36 | 4.72 | -48.93 | 2 | 3 | 1 | 50 | 183.275 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.36 | 3.32 | -8.19 | 1 | 3 | 0 | 45 | 182.267 | 5 | ↓ |