| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2008 | 22 | 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) | 3.87 | 6.01 | -51.58 | 0 | 4 | -1 | 61 | 376.255 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.87 | 5.94 | -14.51 | 1 | 4 | 0 | 59 | 377.263 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.87 | 6.56 | -31.81 | 1 | 4 | 0 | 62 | 377.263 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
