In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 10th, 2007 | 35 | No |
Popular Name: 5-(2,5-dimethoxyphenyl)-3-hydroxy-4-(4-isobutoxybenzoyl)-1-(3-methoxypropyl)-5H-pyrrol-2-one 5-(2,5-dimethoxyphenyl)-3-hydrox…
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) | 3.85 | 10.59 | -45.52 | 0 | 8 | -1 | 97 | 482.553 | 12 | ↓ |
Mid Mid (pH 6-8) | 4.30 | 7.74 | -28.34 | 1 | 8 | 0 | 95 | 483.561 | 11 | ↓ |
Mid Mid (pH 6-8) | 3.27 | 0.62 | -23.42 | 0 | 8 | 0 | 91 | 483.561 | 12 | ↓ |