| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 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) | 2.75 | 8.57 | -11.75 | 0 | 7 | 0 | 70 | 404.536 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.75 | 8.25 | -11.92 | 0 | 7 | 0 | 70 | 404.536 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.75 | 8.92 | -43.37 | 1 | 7 | 1 | 71 | 405.544 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.75 | 8.42 | -43.62 | 1 | 7 | 1 | 71 | 405.544 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
