| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 27 | 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) | 0.94 | 4.42 | -44.98 | 3 | 9 | 1 | 126 | 405.485 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 2.77 | -60.27 | 1 | 9 | -1 | 129 | 403.469 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.94 | 3.9 | -24.39 | 2 | 9 | 0 | 125 | 404.477 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
