| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 21 | 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) | -0.13 | 8.56 | -62.07 | 3 | 5 | 1 | 70 | 299.435 | 8 | ↓ |
| Hi High (pH 8-9.5) | -0.13 | 7.65 | -36.55 | 2 | 5 | 0 | 66 | 298.427 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.13 | 6.46 | -33.11 | 2 | 5 | 0 | 69 | 298.427 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
