| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 21 | Yes |
Popular Name: 3-fluoro-4-methyl-5-[[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]benzonitrile 3-fluoro-4-methyl-5-[[(4S)-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) | 2.80 | 7.43 | -9.71 | 1 | 4 | 0 | 54 | 284.338 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.80 | 7.83 | -38.13 | 2 | 4 | 1 | 55 | 285.346 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
