| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2009 | 42 | 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) | 3.29 | 9.53 | -62.98 | 4 | 11 | 1 | 162 | 583.658 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.29 | 9.21 | -15.56 | 3 | 11 | 0 | 160 | 582.65 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.29 | 9.99 | -111.54 | 5 | 11 | 2 | 163 | 584.666 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
