| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2009 | 46 | No |
Popular Name: [acetoxy-(acetoxymethyl)-hydroxy-trimethyl-oxo-(3-pyridyl)BLAHyl] [acetoxy-(acetoxymethyl)-hydroxy…
| 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) | 3.74 | 11.85 | -62.19 | 4 | 12 | 1 | 179 | 641.738 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.74 | 11.54 | -19 | 3 | 12 | 0 | 178 | 640.73 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 3.74 | 12.32 | -100.02 | 5 | 12 | 2 | 180 | 642.746 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
