| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2010 | 16 | Yes |
Popular Name: (2S,4R)-N,2-dimethyl-1-[(3-methylisoxazol-5-yl)methyl]piperidin-4-amine (2S,4R)-N,2-dimethyl-1-[(3-methy…
None
| 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) | 1.19 | 3.95 | -39.24 | 2 | 4 | 1 | 42 | 224.328 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.19 | 5.17 | -107.01 | 3 | 4 | 2 | 47 | 225.336 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.19 | 3.05 | -43.21 | 2 | 4 | 1 | 46 | 224.328 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
