| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 14 | 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) | 0.97 | 3.18 | -45.88 | 3 | 3 | 1 | 54 | 189.238 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.97 | 2.86 | -6.57 | 2 | 3 | 0 | 52 | 188.23 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.97 | 3.61 | -104.88 | 4 | 3 | 2 | 55 | 190.246 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
