| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2008 | 25 | 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) | 5.07 | 10.59 | -56.3 | 0 | 3 | -1 | 52 | 324.359 | 1 | ↓ |
| Ref Reference (pH 7) | 5.07 | 10.05 | -53.24 | 0 | 3 | -1 | 52 | 324.359 | 1 | ↓ |
| Mid Mid (pH 6-8) | 5.07 | 9.71 | -11.25 | 1 | 3 | 0 | 50 | 325.367 | 1 | ↓ |
| Mid Mid (pH 6-8) | 5.07 | 9.18 | -11.42 | 1 | 3 | 0 | 50 | 325.367 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.