| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 31 | 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) | 5.57 | 8.86 | -16.05 | 3 | 7 | 0 | 124 | 502.342 | 7 | ↓ |
| Hi High (pH 8-9.5) | 5.57 | 10.64 | -98.92 | 1 | 7 | -2 | 129 | 500.326 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.57 | 9.87 | -53.92 | 2 | 7 | -1 | 126 | 501.334 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
