| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 19 | 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) | -1.15 | 6.01 | -73.5 | 3 | 5 | 1 | 64 | 270.397 | 7 | ↓ |
| Hi High (pH 8-9.5) | -1.15 | 6.07 | -60.69 | 2 | 5 | 0 | 60 | 269.389 | 7 | ↓ |
| Mid Mid (pH 6-8) | -1.15 | 5.41 | -66.26 | 3 | 5 | 1 | 64 | 270.397 | 7 | ↓ |
| Mid Mid (pH 6-8) | -1.15 | 3.63 | -31.46 | 2 | 5 | 0 | 63 | 269.389 | 7 | ↓ |
| Mid Mid (pH 6-8) | -1.15 | 7.96 | -137.85 | 4 | 5 | 2 | 66 | 271.405 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
