| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 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) | 1.68 | 3.46 | -9.49 | 1 | 5 | 0 | 58 | 271.32 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | 2.86 | -19.36 | 1 | 5 | 0 | 58 | 271.32 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.14 | 1.56 | -50.81 | 0 | 5 | -1 | 61 | 270.312 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.68 | 5.78 | -42.67 | 2 | 5 | 1 | 59 | 272.328 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
