In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 4th, 2011 | 24 | Yes |
Popular Name: (2R)-2-cyano-N-[[4-(diethylamino)-3-fluoro-phenyl]methyl]morpholine-4-carboxamide (2R)-2-cyano-N-[[4-(diethylamino…
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) | 2.51 | 7.18 | -11.11 | 1 | 6 | 0 | 69 | 334.395 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.51 | 6.96 | -41.85 | 2 | 6 | 1 | 70 | 335.403 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.