| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 14 | Yes |
Popular Name: (3R,4S)-1-(isoxazol-4-ylmethyl)-4-methyl-piperidin-3-amine (3R,4S)-1-(isoxazol-4-ylmethyl)-…
| 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) | -0.10 | 0.88 | -48.95 | 3 | 4 | 1 | 57 | 196.274 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.10 | 0.57 | -5.48 | 2 | 4 | 0 | 55 | 195.266 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.10 | 2.8 | -41.79 | 3 | 4 | 1 | 56 | 196.274 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.10 | 3.1 | -124.62 | 4 | 4 | 2 | 58 | 197.282 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
