| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 26 | 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) | 3.73 | 8.28 | -33.44 | 1 | 5 | 1 | 39 | 356.49 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.73 | 7.1 | -10.28 | 0 | 5 | 0 | 38 | 355.482 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.73 | 9.42 | -42.29 | 1 | 5 | 1 | 39 | 356.49 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.73 | 8.73 | -81.1 | 2 | 5 | 2 | 40 | 357.498 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
