| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2008 | 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) | 3.05 | 4.43 | -12.36 | 1 | 5 | 0 | 58 | 348.906 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.87 | 3.58 | -36.52 | 0 | 5 | -1 | 64 | 347.898 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.05 | 6.67 | -56.67 | 2 | 5 | 1 | 59 | 349.914 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
