| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 15 | 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) | 2.17 | 6.81 | -32.4 | 1 | 2 | 1 | 8 | 276.242 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.17 | 4.41 | -1.78 | 0 | 2 | 0 | 6 | 275.234 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.17 | 6.76 | -36.42 | 1 | 2 | 1 | 8 | 276.242 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 9.17 | -106.41 | 2 | 2 | 2 | 9 | 277.25 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
