| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 19 | Yes |
Popular Name: (3S)-5-bromo-3-(2-pyrrolidin-1-ylethylamino)indolin-2-one (3S)-5-bromo-3-(2-pyrrolidin-1-y…
| 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) | 1.89 | 4.65 | -34.88 | 3 | 4 | 1 | 46 | 325.23 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.89 | 3.25 | -42.23 | 3 | 4 | 1 | 49 | 325.23 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.89 | 1.97 | -8.19 | 2 | 4 | 0 | 44 | 324.222 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.89 | 5.79 | -117.34 | 4 | 4 | 2 | 50 | 326.238 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
