| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2011 | 40 | 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) | 1.10 | 15.79 | -110.75 | 2 | 11 | -2 | 173 | 537.532 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 13.35 | -190.52 | 1 | 11 | -3 | 176 | 536.524 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -1.65 | 16.21 | -79.09 | 3 | 11 | -1 | 177 | 538.54 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
