| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 21 | Yes |
Popular Name: N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]-3-[(2S)-2-methyl-1-piperidyl]propan-1-amine N-[(3-isopropyl-1-methyl-pyrazol…
| 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) | 2.69 | 9.32 | -110.88 | 3 | 4 | 2 | 39 | 294.487 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.69 | 7.21 | -44.95 | 2 | 4 | 1 | 38 | 293.479 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.69 | 7.95 | -35.86 | 2 | 4 | 1 | 34 | 293.479 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
