| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2009 | 20 | 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) | -2.18 | -9.78 | -104.27 | 12 | 7 | 2 | 166 | 282.344 | 6 | ↓ |
| Hi High (pH 8-9.5) | -2.18 | -10.33 | -47.6 | 11 | 7 | 1 | 164 | 281.336 | 6 | ↓ |
| Hi High (pH 8-9.5) | -2.18 | -9.86 | -30.22 | 10 | 7 | 0 | 167 | 280.328 | 6 | ↓ |
| Mid Mid (pH 6-8) | -2.18 | -9.95 | -118.64 | 12 | 7 | 2 | 166 | 282.344 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.