| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2010 | 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) | 1.17 | 2.61 | -39.49 | 2 | 3 | 1 | 23 | 224.372 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | 4.4 | -101.81 | 3 | 3 | 2 | 24 | 225.38 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | 5.17 | -80.55 | 3 | 3 | 2 | 24 | 225.38 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.17 | 6.96 | -178.68 | 4 | 3 | 3 | 25 | 226.388 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
