In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2010 | 22 | Yes |
Popular Name: (2R)-4-[3-(2-cyanoanilino)-3-oxo-propyl]morpholine-2-carboxamide (2R)-4-[3-(2-cyanoanilino)-3-oxo…
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) | -0.31 | 1.02 | -16.37 | 3 | 7 | 0 | 108 | 302.334 | 5 | ↓ |
Lo Low (pH 4.5-6) | -0.31 | 3.28 | -57.61 | 4 | 7 | 1 | 110 | 303.342 | 5 | ↓ |