In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 7th, 2007 | 28 | No |
Popular Name: 3-hydroxy-5-(4-iodophenyl)-4-(4-methoxybenzoyl)-1-(2-methoxyethyl)-5H-pyrrol-2-one 3-hydroxy-5-(4-iodophenyl)-4-(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) | 3.50 | 8.11 | -39.58 | 0 | 6 | -1 | 79 | 492.289 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.92 | 7.89 | -18.03 | 0 | 6 | 0 | 73 | 493.297 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.95 | 6.9 | -25.19 | 1 | 6 | 0 | 76 | 493.297 | 6 | ↓ |