| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 21st, 2010 | 14 | Yes |
Popular Name: 5-[(5-methylisoxazol-3-yl)methylamino]pentanenitrile 5-[(5-methylisoxazol-3-yl)methyl…
| 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) | 0.68 | 5.05 | -53.95 | 2 | 4 | 1 | 66 | 194.258 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.68 | 3.68 | -12.64 | 1 | 4 | 0 | 62 | 193.25 | 6 | ↓ |
