| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2011 | 22 | 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) | 3.58 | 8.53 | -11.59 | 2 | 6 | 0 | 98 | 292.298 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.58 | 8.69 | -40.53 | 3 | 6 | 1 | 99 | 293.306 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.58 | 8.61 | -37.29 | 3 | 6 | 1 | 99 | 293.306 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
