| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 21 | 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) | 4.10 | 11.17 | -35.15 | 2 | 2 | 1 | 16 | 287.471 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.10 | 9.47 | -1.34 | 1 | 2 | 0 | 15 | 286.463 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.10 | 11.63 | -107.45 | 3 | 2 | 2 | 21 | 288.479 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
