| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 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) | 1.19 | 6.66 | -87.13 | 5 | 4 | 2 | 59 | 268.792 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 5.64 | -2.72 | 3 | 4 | 0 | 56 | 266.776 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.19 | 7.66 | -35.05 | 4 | 4 | 1 | 58 | 267.784 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
