| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 12 | 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) | 0.33 | 1.26 | -38.47 | 2 | 3 | 1 | 29 | 171.264 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.33 | -0.42 | -1.83 | 1 | 3 | 0 | 24 | 170.256 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.33 | 3.06 | -103.49 | 3 | 3 | 2 | 30 | 172.272 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.33 | 1.38 | -28.07 | 2 | 3 | 1 | 26 | 171.264 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
