In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 27th, 2007 | 35 | No |
Popular Name: 3-hydroxy-1-(3-methoxypropyl)-4-[4-(m-tolylmethoxy)benzoyl]-5-phenyl-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) | 4.71 | 12.24 | -60.53 | 0 | 6 | -1 | 79 | 470.545 | 10 | ↓ |
Mid Mid (pH 6-8) | 5.16 | 11.2 | -29.05 | 1 | 6 | 0 | 76 | 471.553 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.13 | 12.22 | -20.31 | 0 | 6 | 0 | 73 | 471.553 | 10 | ↓ |