| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 31 | No |
| 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) | 1.49 | 3.4 | -18.29 | 2 | 8 | 0 | 112 | 457.792 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.49 | 4.25 | -36.8 | 1 | 8 | 0 | 115 | 456.784 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.49 | 4.29 | -33.4 | 1 | 8 | 0 | 115 | 456.784 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.49 | 3.32 | -20.19 | 2 | 8 | 0 | 112 | 457.792 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
