| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 18 | 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) | 3.70 | 8.44 | -31.1 | 3 | 2 | 1 | 30 | 247.406 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.70 | 7.69 | -1.21 | 2 | 2 | 0 | 29 | 246.398 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.70 | 8.51 | -113.48 | 4 | 2 | 2 | 32 | 248.414 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
