| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 18 | 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) | 1.64 | 3.99 | -28.83 | 3 | 3 | 1 | 43 | 248.394 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.64 | 1.73 | -37.96 | 3 | 3 | 1 | 44 | 248.394 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.64 | 4.04 | -106.99 | 4 | 3 | 2 | 45 | 249.402 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
