| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 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) | 1.04 | 5.42 | -28.17 | 4 | 3 | 1 | 56 | 246.378 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.04 | 5.03 | -4.59 | 3 | 3 | 0 | 55 | 245.37 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.04 | 5.33 | -49.54 | 4 | 3 | 1 | 56 | 246.378 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
