| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 17 | 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) | 1.40 | 7.42 | -39.5 | 1 | 3 | 1 | 31 | 236.383 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 4.98 | -6.8 | 0 | 3 | 0 | 30 | 235.375 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 9.3 | -119.39 | 2 | 3 | 2 | 33 | 237.391 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
