| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 10th, 2009 | 33 | 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) | 4.03 | 10.45 | -43.08 | 0 | 6 | -1 | 83 | 441.507 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.03 | 9.32 | -15.97 | 1 | 6 | 0 | 80 | 442.515 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.03 | 9.76 | -48.98 | 2 | 6 | 1 | 81 | 443.523 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
