| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 16 | 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) | 2.02 | 5.28 | -44.46 | 3 | 3 | 1 | 44 | 220.34 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.02 | 5.02 | -3.98 | 2 | 3 | 0 | 42 | 219.332 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.02 | 5.73 | -97.24 | 4 | 3 | 2 | 45 | 221.348 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
