| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 17 | 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) | 0.68 | 7.88 | -118.99 | 4 | 2 | 2 | 32 | 232.371 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.68 | 5.65 | -2.3 | 2 | 2 | 0 | 29 | 230.355 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.68 | 5.92 | -37.65 | 3 | 2 | 1 | 31 | 231.363 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 7.56 | -31 | 3 | 2 | 1 | 30 | 231.363 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
