| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 2011 | 24 | 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) | 2.79 | 3.51 | -32.96 | 5 | 6 | 1 | 102 | 321.36 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.61 | 3.62 | -23.2 | 4 | 6 | 0 | 97 | 320.352 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 4 | -36.71 | 5 | 6 | 1 | 98 | 321.36 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
