| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2009 | 25 | No |
| 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) | -1.81 | -1.62 | -156.49 | 3 | 12 | -2 | 186 | 394.664 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.35 | -4.03 | -212.52 | 2 | 12 | -3 | 189 | 393.656 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.81 | -2.78 | -64.39 | 4 | 12 | -1 | 183 | 395.672 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
