| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 14 | Yes |
Popular Name: (2S,3R)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-amine (2S,3R)-1-methyl-2-(1-methylpyra…
| 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 | 0.88 | -43.65 | 3 | 4 | 1 | 49 | 195.29 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.43 | 0.59 | -5.3 | 2 | 4 | 0 | 47 | 194.282 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.43 | 2.83 | -34.99 | 3 | 4 | 1 | 48 | 195.29 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.43 | 3.12 | -108.19 | 4 | 4 | 2 | 50 | 196.298 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
