| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 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) | 2.10 | 4.88 | -40.05 | 3 | 2 | 1 | 29 | 205.325 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.10 | 3.53 | -2.33 | 2 | 2 | 0 | 24 | 204.317 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.10 | 4.64 | -35.19 | 3 | 2 | 1 | 29 | 205.325 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.10 | 6 | -118.39 | 4 | 2 | 2 | 33 | 206.333 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
