| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2009 | 14 | 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) | 0.96 | 4.43 | -32.5 | 2 | 3 | 1 | 39 | 208.31 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.96 | 4.29 | -31.88 | 2 | 3 | 1 | 39 | 208.31 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.96 | 4.89 | -78.01 | 3 | 3 | 2 | 40 | 209.318 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
