| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2006 | 28 | 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 | 9.5 | -67.72 | 2 | 7 | -1 | 107 | 447.24 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.46 | 10.27 | -97.61 | 1 | 7 | -2 | 110 | 446.232 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.46 | 7.49 | -17.36 | 3 | 7 | 0 | 104 | 448.248 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 8.1 | -29.99 | 3 | 7 | 0 | 112 | 448.248 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
