| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 13th, 2008 | 17 | Yes |
Popular Name: (3S)-4-bromo-3-(2-dimethylaminoethylamino)indolin-2-one (3S)-4-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) | 1.46 | 3.5 | -34.81 | 3 | 4 | 1 | 46 | 299.192 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.46 | 2.27 | -32.87 | 3 | 4 | 1 | 49 | 299.192 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.46 | 0.93 | -7.02 | 2 | 4 | 0 | 44 | 298.184 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.46 | 1.02 | -7.17 | 2 | 4 | 0 | 44 | 298.184 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.46 | 2.29 | -31.82 | 3 | 4 | 1 | 49 | 299.192 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.46 | 4.81 | -102.15 | 4 | 4 | 2 | 50 | 300.2 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.46 | 4.77 | -99.52 | 4 | 4 | 2 | 50 | 300.2 | 4 | ↓ |
