| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 21 | 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) | 1.87 | 7.67 | -37.83 | 2 | 5 | 1 | 47 | 295.451 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.87 | 6.44 | -4.01 | 1 | 5 | 0 | 42 | 294.443 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.87 | 6.6 | -24.97 | 2 | 5 | 1 | 44 | 295.451 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.87 | 7.81 | -93.43 | 3 | 5 | 2 | 48 | 296.459 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
