| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 27th, 2010 | 24 | No |
Popular Name: (3R)-3-[(4S)-4-(2,6-difluorophenyl)-4H-pyrazol-3-yl]-1-isopentyl-piperidine (3R)-3-[(4S)-4-(2,6-difluorophen…
| 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) | 4.23 | 10.76 | -39.44 | 1 | 3 | 1 | 29 | 334.434 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.23 | 8.53 | -9.61 | 0 | 3 | 0 | 28 | 333.426 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
