| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 21st, 2010 | 15 | Yes |
Popular Name: (2S)-1-(dimethylamino)-3-[(5-methylisoxazol-3-yl)methylamino]propan-2-ol (2S)-1-(dimethylamino)-3-[(5-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) | -0.17 | 1.96 | -106.74 | 4 | 5 | 2 | 67 | 215.297 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.17 | 1.12 | -32.25 | 2 | 5 | 0 | 66 | 213.281 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.17 | 0.57 | -40.83 | 3 | 5 | 1 | 63 | 214.289 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.17 | 2.52 | -45.66 | 3 | 5 | 1 | 70 | 214.289 | 6 | ↓ |
