| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2008 | 28 | 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) | 3.08 | 11.1 | -45.22 | 1 | 5 | 1 | 35 | 399.584 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 8.64 | -10.64 | 0 | 5 | 0 | 33 | 398.576 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.08 | 13.15 | -43.55 | 1 | 5 | 1 | 35 | 399.584 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.