| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 9th, 2009 | 34 | 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) | 3.46 | 10.13 | -60.13 | 0 | 7 | -1 | 92 | 457.506 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.46 | 8.84 | -23.58 | 1 | 7 | 0 | 89 | 458.514 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.46 | 9.29 | -54.92 | 2 | 7 | 1 | 90 | 459.522 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
