| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 16 | Yes |
Popular Name: (3S,4R)-1-[(3,5-dimethylisoxazol-4-yl)methyl]-4-methyl-piperidin-3-amine (3S,4R)-1-[(3,5-dimethylisoxazol…
| 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) | 0.34 | 1.99 | -51.26 | 3 | 4 | 1 | 57 | 224.328 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.34 | 3.91 | -44.05 | 3 | 4 | 1 | 56 | 224.328 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.34 | 1.69 | -6.47 | 2 | 4 | 0 | 55 | 223.32 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.34 | 4.2 | -128.17 | 4 | 4 | 2 | 58 | 225.336 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
