| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 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) | 1.10 | 5.18 | -46.87 | 3 | 4 | 1 | 53 | 296.46 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | 4.85 | -6.03 | 2 | 4 | 0 | 51 | 295.452 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.10 | 5.25 | -23.95 | 3 | 4 | 1 | 53 | 296.46 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.10 | 5.58 | -98.26 | 4 | 4 | 2 | 54 | 297.468 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
