| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 18 | 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) | 0.49 | 1.87 | -11.45 | 4 | 5 | 0 | 85 | 242.282 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.49 | 1.72 | -61.18 | 5 | 5 | 1 | 87 | 243.29 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.49 | 2.32 | -30.03 | 5 | 5 | 1 | 86 | 243.29 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.49 | 2.18 | -94.19 | 6 | 5 | 2 | 88 | 244.298 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
