| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 18 | Yes |
Popular Name: (2S)-2-[(3-methyl-1H-pyrazol-4-yl)methylamino]-1-(1-piperidyl)propan-1-one (2S)-2-[(3-methyl-1H-pyrazol-4-y…
| 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) | 0.62 | 4.26 | -45.83 | 3 | 5 | 1 | 66 | 251.354 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.62 | 4.29 | -44.04 | 3 | 5 | 1 | 66 | 251.354 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.62 | 3.09 | -12.26 | 2 | 5 | 0 | 61 | 250.346 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.62 | 3.11 | -12.05 | 2 | 5 | 0 | 61 | 250.346 | 4 | ↓ |
