| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2010 | 18 | Yes |
Popular Name: (2R,4R)-2-methyl-1-[(3-methylisoxazol-5-yl)methyl]-N-propyl-piperidin-4-amine (2R,4R)-2-methyl-1-[(3-methyliso…
| 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) | 2.07 | 5.95 | -39.45 | 2 | 4 | 1 | 42 | 252.382 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.07 | 7.13 | -110.96 | 3 | 4 | 2 | 47 | 253.39 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.07 | 5 | -43.54 | 2 | 4 | 1 | 46 | 252.382 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
