In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 16th, 2007 | 36 | Yes |
Popular Name: (4-isobutoxy-3-methoxy-phenyl)-methyl-(6-methyl-2-pyridyl)-BLAHdione (4-isobutoxy-3-methoxy-phenyl)-m…
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) | 4.88 | 3.19 | -16.25 | 0 | 7 | 0 | 81 | 484.552 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.88 | 3.32 | -33.99 | 1 | 7 | 1 | 83 | 485.56 | 6 | ↓ |