In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2007 | 28 | No |
Popular Name: 3-hydroxy-5-(4-iodophenyl)-1-(3-methoxypropyl)-4-(4-methylbenzoyl)-5H-pyrrol-2-one 3-hydroxy-5-(4-iodophenyl)-1-(3-…
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) | 4.16 | 10.48 | -39.66 | 0 | 5 | -1 | 70 | 490.317 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.61 | 9.12 | -26.51 | 1 | 5 | 0 | 67 | 491.325 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.58 | -0.69 | -20.18 | 0 | 5 | 0 | 63 | 491.325 | 7 | ↓ |