| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 21st, 2010 | 17 | Yes |
Popular Name: (2S)-1-(diethylamino)-3-[(5-methylisoxazol-3-yl)methylamino]propan-2-ol (2S)-1-(diethylamino)-3-[(5-meth…
| 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) | 0.58 | 3.31 | -107.37 | 4 | 5 | 2 | 67 | 243.351 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.58 | 3.86 | -44.5 | 3 | 5 | 1 | 70 | 242.343 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.58 | 1.89 | -37.95 | 3 | 5 | 1 | 63 | 242.343 | 8 | ↓ |
