In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 23rd, 2011 | 21 | Yes |
Popular Name: N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]-2-(methylamino)pyridine-4-carboxamide N-[(1R)-2-(4-fluorophenyl)-1-met…
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) | 2.34 | 6.36 | -13.21 | 2 | 4 | 0 | 54 | 287.338 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.34 | 6.83 | -42.21 | 3 | 4 | 1 | 55 | 288.346 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.