| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 18 | 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) | 1.94 | 7.05 | -33.37 | 1 | 6 | 0 | 81 | 251.286 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 5.16 | -29.11 | 0 | 6 | -1 | 80 | 250.278 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.94 | 7.5 | -53.69 | 2 | 6 | 1 | 83 | 252.294 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
