| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2010 | 19 | Yes |
Popular Name: 1-(3-methylbut-2-enyl)-N-[(5-methylisoxazol-3-yl)methyl]piperidin-4-amine 1-(3-methylbut-2-enyl)-N-[(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) | 2.54 | 6.7 | -38.51 | 2 | 4 | 1 | 42 | 264.393 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.54 | 7.89 | -109.81 | 3 | 4 | 2 | 47 | 265.401 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.54 | 5.62 | -42.71 | 2 | 4 | 1 | 46 | 264.393 | 5 | ↓ |
