| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 20 | 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) | 1.40 | 7.9 | -27.59 | 3 | 3 | 1 | 45 | 274.432 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 7.54 | -3.81 | 2 | 3 | 0 | 44 | 273.424 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 7.85 | -44.09 | 3 | 3 | 1 | 45 | 274.432 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 8.16 | -117.31 | 4 | 3 | 2 | 47 | 275.44 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
