| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 17 | 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) | 3.34 | 7.38 | -33.71 | 2 | 2 | 1 | 16 | 253.435 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.34 | 6.06 | -1.82 | 1 | 2 | 0 | 15 | 252.427 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.34 | 8.73 | -117.26 | 3 | 2 | 2 | 21 | 254.443 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
