| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 16 | 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) | -0.23 | 4.52 | -104.01 | 6 | 3 | 2 | 68 | 215.3 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.23 | 3.75 | -5.48 | 4 | 3 | 0 | 65 | 213.284 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.23 | 4.23 | -29.63 | 5 | 3 | 1 | 66 | 214.292 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.23 | 4.05 | -46.75 | 5 | 3 | 1 | 67 | 214.292 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
