| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2011 | 40 | 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) | 3.01 | 11.45 | -40.67 | 3 | 8 | 0 | 97 | 544.627 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.01 | 10.47 | -54.89 | 2 | 8 | -1 | 93 | 543.619 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.01 | 12.81 | -68.01 | 3 | 8 | 0 | 94 | 544.627 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.01 | 13.79 | -73.45 | 4 | 8 | 1 | 99 | 545.635 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.