| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2011 | 16 | 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) | 2.71 | 7.59 | -94.23 | 3 | 2 | 2 | 21 | 226.408 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.71 | 6.33 | -30.28 | 2 | 2 | 1 | 16 | 225.4 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 6.8 | -36.1 | 2 | 2 | 1 | 20 | 225.4 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
