| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 17 | 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) | 0.48 | -0.72 | -16.84 | 2 | 5 | 0 | 70 | 234.255 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.48 | 0.06 | -50.48 | 1 | 5 | -1 | 72 | 233.247 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.48 | 1.48 | -57.09 | 3 | 5 | 1 | 71 | 235.263 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
