| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 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) | 0.62 | 5.18 | -97.08 | 3 | 3 | 2 | 36 | 167.256 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.62 | 3.89 | -26.56 | 2 | 3 | 1 | 31 | 166.248 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.62 | 3.32 | -5.96 | 1 | 3 | 0 | 30 | 165.24 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.62 | 4.66 | -34.92 | 2 | 3 | 1 | 34 | 166.248 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
