| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2011 | 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) | 3.49 | 14.83 | -27.38 | 1 | 3 | 0 | 45 | 391.536 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.49 | 12.7 | -46.5 | 0 | 3 | -1 | 43 | 390.528 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
