| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 20 | 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) | 4.24 | 9.23 | -10.01 | 2 | 2 | 0 | 39 | 278.38 | 1 | ↓ |
| Hi High (pH 8-9.5) | 4.24 | 9.3 | -44.25 | 1 | 2 | -1 | 36 | 277.372 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 4.24 | 9.66 | -29.53 | 3 | 2 | 1 | 40 | 279.388 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
