| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 21 | 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) | 1.17 | 6.47 | -86.62 | 3 | 5 | 2 | 51 | 299.459 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.17 | 4.76 | -6.52 | 1 | 5 | 0 | 45 | 297.443 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.17 | 6.64 | -33.76 | 2 | 5 | 1 | 46 | 298.451 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | 4.86 | -39.56 | 2 | 5 | 1 | 49 | 298.451 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
