| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2010 | 18 | Yes |
Popular Name: (3S,4R)-3-methyl-1-[(3-methylisoxazol-5-yl)methyl]-N-propyl-piperidin-4-amine (3S,4R)-3-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) | 2.22 | 6.31 | -41.72 | 2 | 4 | 1 | 42 | 252.382 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.21 | 5.46 | -42.98 | 2 | 4 | 1 | 46 | 252.382 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 7.36 | -111.21 | 3 | 4 | 2 | 47 | 253.39 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
