| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 21 | No |
| 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) | 4.09 | 2.54 | -50.46 | 2 | 6 | -1 | 101 | 280.263 | 3 | ↓ |
| Ref Reference (pH 7) | 2.73 | 5.92 | -62.95 | 3 | 6 | 0 | 95 | 281.271 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.10 | 4.83 | -105.68 | 1 | 6 | -2 | 104 | 279.255 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.09 | 3.37 | -99.03 | 1 | 6 | -2 | 104 | 279.255 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
