| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2008 | 28 | 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) | 3.03 | 6.45 | -15.35 | 2 | 9 | 0 | 130 | 424.196 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.49 | 5.76 | -94.98 | 0 | 9 | -2 | 136 | 422.18 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.03 | 7.52 | -50.55 | 1 | 9 | -1 | 133 | 423.188 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
