In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2011 | 22 | No |
Popular Name: 7-[(5R)-5-(3-pyridyl)-1,5-dihydropyrazol-2-yl]-2H-isoquinolin-1-one 7-[(5R)-5-(3-pyridyl)-1,5-dihydr…
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) | 1.72 | 6.13 | -14.16 | 2 | 5 | 0 | 61 | 290.326 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.72 | 6.59 | -38.55 | 3 | 5 | 1 | 62 | 291.334 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.