| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 15 | Yes |
Popular Name: (3S,4S)-4-methyl-1-[(5-methylisoxazol-3-yl)methyl]piperidin-3-amine (3S,4S)-4-methyl-1-[(5-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) | 0.43 | 2.43 | -45.79 | 3 | 4 | 1 | 57 | 210.301 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.43 | 4.16 | -38.11 | 3 | 4 | 1 | 56 | 210.301 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.43 | 2.05 | -5.71 | 2 | 4 | 0 | 55 | 209.293 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.43 | 4.44 | -122.27 | 4 | 4 | 2 | 58 | 211.309 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
