| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2010 | 15 | Yes |
Popular Name: (2S,4S)-2-methyl-1-[(3-methylisoxazol-5-yl)methyl]piperidin-4-amine (2S,4S)-2-methyl-1-[(3-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) | 0.28 | 3.55 | -37.52 | 3 | 4 | 1 | 56 | 210.301 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.28 | 1.66 | -47.23 | 3 | 4 | 1 | 57 | 210.301 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.28 | 3.87 | -110.76 | 4 | 4 | 2 | 58 | 211.309 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
