| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 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) | 1.79 | 3.02 | -47.85 | 3 | 4 | 1 | 49 | 295.378 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.79 | 2.03 | -8.33 | 2 | 4 | 0 | 45 | 294.37 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 4.52 | -39.33 | 3 | 4 | 1 | 46 | 295.378 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
