| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 20 | Yes |
| 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) | 3.82 | 9.53 | -37.79 | 2 | 3 | 1 | 33 | 294.488 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.82 | 8.2 | -5.11 | 1 | 3 | 0 | 28 | 293.48 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.82 | 9.93 | -87.64 | 3 | 3 | 2 | 34 | 295.496 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
