In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 26th, 2007 | 35 | No |
Popular Name: 3-hydroxy-1-(3-methoxypropyl)-4-[4-(o-tolylmethoxy)benzoyl]-5-(4-pyridyl)-5H-pyrrol-2-one 3-hydroxy-1-(3-methoxypropyl)-4-…
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) | 3.40 | 10.97 | -40.74 | 0 | 7 | -1 | 92 | 471.533 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.84 | 9.4 | -29.97 | 1 | 7 | 0 | 89 | 472.541 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.84 | 9.68 | -70.26 | 2 | 7 | 1 | 90 | 473.549 | 9 | ↓ |