| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 15 | 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) | 2.15 | 5.81 | -42.53 | 2 | 2 | 1 | 29 | 199.277 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.15 | 4.47 | -5.22 | 1 | 2 | 0 | 25 | 198.269 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.15 | 6.28 | -87.17 | 3 | 2 | 2 | 31 | 200.285 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
