| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 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) | 2.00 | 13.52 | -51.22 | 2 | 12 | -1 | 163 | 532.544 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.46 | 11.08 | -109.88 | 1 | 12 | -2 | 166 | 531.536 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.00 | 13.46 | -16.51 | 3 | 12 | 0 | 164 | 533.552 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
