| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2008 | 31 | 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) | 3.21 | 7.21 | -55.21 | 3 | 6 | 1 | 67 | 446.999 | 11 | ↓ |
| Hi High (pH 8-9.5) | 3.21 | 6.14 | -12.38 | 2 | 6 | 0 | 63 | 445.991 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 3.21 | 9.32 | -133.31 | 4 | 6 | 2 | 69 | 448.007 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
