| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 20 | 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) | 2.18 | 5.37 | -27.19 | 3 | 4 | 1 | 51 | 272.372 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 4.66 | -7.46 | 2 | 4 | 0 | 50 | 271.364 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 5.99 | -42.06 | 3 | 4 | 1 | 55 | 272.372 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
