| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 36 | 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) | 2.73 | 7.45 | -24.3 | 4 | 9 | 0 | 155 | 509.584 | 11 | ↓ |
| Mid Mid (pH 6-8) | 2.73 | 8.41 | -55.7 | 3 | 9 | -1 | 158 | 508.576 | 11 | ↓ |
| Mid Mid (pH 6-8) | 2.73 | 7.75 | -72.83 | 5 | 9 | 1 | 157 | 510.592 | 11 | ↓ |
| Mid Mid (pH 6-8) | 2.73 | 8.74 | -80.49 | 4 | 9 | 0 | 160 | 509.584 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
