| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2011 | 19 | Yes |
Popular Name: (2S)-1-[4-[[(5-methylisoxazol-3-yl)methylamino]methyl]-1-piperidyl]propan-2-ol (2S)-1-[4-[[(5-methylisoxazol-3-…
| 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) | 0.98 | 4.35 | -102.05 | 4 | 5 | 2 | 67 | 269.389 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.98 | 2.98 | -38.14 | 3 | 5 | 1 | 63 | 268.381 | 6 | ↓ |
