| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2010 | 17 | Yes |
Popular Name: (3S,4R)-N-ethyl-3-methyl-1-[(3-methylisoxazol-5-yl)methyl]piperidin-4-amine (3S,4R)-N-ethyl-3-methyl-1-[(3-m…
| 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) | 1.71 | 5.56 | -41.68 | 2 | 4 | 1 | 42 | 238.355 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.71 | 4.69 | -42.14 | 2 | 4 | 1 | 46 | 238.355 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.71 | 6.6 | -109.42 | 3 | 4 | 2 | 47 | 239.363 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
