| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 18th, 2008 | 9 | 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) | 0.80 | 2.63 | -14.14 | 1 | 2 | 0 | 29 | 125.171 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | 1.59 | -38.04 | 0 | 2 | -1 | 35 | 124.163 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.60 | 2.12 | -35.74 | 1 | 2 | 1 | 31 | 126.179 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
