| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 33 | 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) | 1.03 | 7.08 | -54.55 | 0 | 8 | -1 | 99 | 453.494 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.48 | 8.04 | -72.46 | 2 | 8 | 1 | 97 | 455.51 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.45 | 9.3 | -63.82 | 1 | 8 | 1 | 94 | 455.51 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.03 | 9.41 | -73.1 | 1 | 8 | 0 | 100 | 454.502 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
