| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 19 | 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) | 1.75 | 6.03 | -10.67 | 2 | 5 | 0 | 71 | 252.277 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.20 | 4.04 | -47.73 | 1 | 5 | -1 | 74 | 251.269 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.75 | 6.5 | -44.84 | 3 | 5 | 1 | 72 | 253.285 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
