| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 10th, 2011 | 14 | No |
None
| 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 | 4.37 | -37.54 | 1 | 5 | -1 | 90 | 190.134 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.49 | 3.96 | -96.04 | 0 | 5 | -2 | 88 | 189.126 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.27 | 2.27 | -44.16 | 1 | 5 | -1 | 90 | 190.134 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.27 | 2.12 | -54.18 | 1 | 5 | -1 | 90 | 190.134 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
