| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 16 | 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) | 2.70 | 5.36 | -39.86 | 3 | 2 | 1 | 29 | 219.352 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 4.02 | -2.15 | 2 | 2 | 0 | 24 | 218.344 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 5.13 | -35.27 | 3 | 2 | 1 | 29 | 219.352 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.70 | 6.49 | -118.55 | 4 | 2 | 2 | 33 | 220.36 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
