| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 20 | Yes |
Popular Name: (3S)-6-fluoro-3-[[(1S)-1-(4-pyridyl)ethyl]amino]indolin-2-one (3S)-6-fluoro-3-[[(1S)-1-(4-pyri…
| 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) | 1.48 | 4.78 | -49.92 | 3 | 4 | 1 | 59 | 272.303 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.48 | 3.59 | -7.83 | 2 | 4 | 0 | 54 | 271.295 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.48 | 4.09 | -41.26 | 3 | 4 | 1 | 55 | 272.303 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.48 | 5.13 | -107.02 | 4 | 4 | 2 | 60 | 273.311 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
