| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 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) | 3.62 | 8.18 | -37.26 | 2 | 3 | 1 | 33 | 279.448 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.62 | 6.8 | -3.09 | 1 | 3 | 0 | 28 | 278.44 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.62 | 8.86 | -35.2 | 2 | 3 | 1 | 30 | 279.448 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.62 | 10.71 | -117.63 | 3 | 3 | 2 | 34 | 280.456 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
