| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 15 | Yes |
Popular Name: (3S,4R)-4-methyl-1-[(2-methylthiazol-5-yl)methyl]piperidin-3-amine (3S,4R)-4-methyl-1-[(2-methylthi…
| 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) | 0.37 | 1.62 | -4.4 | 2 | 3 | 0 | 42 | 225.361 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.37 | 1.92 | -47.23 | 3 | 3 | 1 | 44 | 226.369 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.37 | 4.15 | -119.38 | 4 | 3 | 2 | 45 | 227.377 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.37 | 3.86 | -37.79 | 3 | 3 | 1 | 43 | 226.369 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
