| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 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) | 2.02 | 3.93 | -40.18 | 2 | 5 | 1 | 55 | 282.408 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.02 | 2.69 | -7.28 | 1 | 5 | 0 | 51 | 281.4 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.02 | 6.19 | -97.46 | 3 | 5 | 2 | 56 | 283.416 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
