| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2008 | 20 | Yes |
Popular Name: (3S)-1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-3-pyrrolidin-1-yl-piperidine (3S)-1-[(5-chloro-1,3-dimethyl-p…
| 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) | 1.96 | 6.73 | -37.12 | 1 | 4 | 1 | 26 | 297.854 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 6.64 | -35.27 | 1 | 4 | 1 | 26 | 297.854 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 4.34 | -4.33 | 0 | 4 | 0 | 24 | 296.846 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.96 | 9.02 | -109.92 | 2 | 4 | 2 | 27 | 298.862 | 3 | ↓ |
