| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 19 | 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) | 2.03 | 4.02 | -56.48 | 3 | 5 | 1 | 71 | 254.317 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.03 | 3.77 | -10.15 | 2 | 5 | 0 | 70 | 253.309 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.03 | 4.44 | -96.15 | 4 | 5 | 2 | 72 | 255.325 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
