| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 16 | Yes |
Popular Name: (3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine (3S)-1-[(1,3,5-trimethylpyrazol-…
| 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) | -0.17 | 1.82 | -50.65 | 3 | 4 | 1 | 49 | 223.344 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.17 | 3.78 | -38.71 | 3 | 4 | 1 | 48 | 223.344 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.17 | 4.1 | -121.06 | 4 | 4 | 2 | 50 | 224.352 | 2 | ↓ |
