| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 14th, 2008 | 17 | Yes |
Popular Name: (3S)-5-bromo-3-(2-dimethylaminoethylamino)indolin-2-one (3S)-5-bromo-3-(2-dimethylaminoe…
| 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) | 1.49 | 3.47 | -37.22 | 3 | 4 | 1 | 46 | 299.192 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.49 | 2.25 | -41.49 | 3 | 4 | 1 | 49 | 299.192 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.49 | 0.96 | -6.35 | 2 | 4 | 0 | 44 | 298.184 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.49 | 0.99 | -6.53 | 2 | 4 | 0 | 44 | 298.184 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.49 | 2.25 | -40.15 | 3 | 4 | 1 | 49 | 299.192 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.49 | 4.78 | -114.22 | 4 | 4 | 2 | 50 | 300.2 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.49 | 4.73 | -111.56 | 4 | 4 | 2 | 50 | 300.2 | 4 | ↓ |
