In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 26th, 2011 | 28 | No |
Popular Name: 5-[1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-pyridyl)pyrazol-4-yl]indan-1-one 5-[1-[(1R,2S)-2-hydroxycyclopent…
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) | 2.57 | 6.01 | -12.67 | 2 | 6 | 0 | 84 | 374.444 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.57 | 6.47 | -38.77 | 3 | 6 | 1 | 85 | 375.452 | 3 | ↓ |