| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 21 | No |
| 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) | -0.05 | 2.05 | -56.75 | 3 | 8 | 1 | 104 | 296.351 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.05 | 1.06 | -11.11 | 2 | 8 | 0 | 99 | 295.343 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.05 | 3.55 | -43.72 | 3 | 8 | 1 | 100 | 296.351 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
