| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 23 | 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) | 1.12 | 5.71 | -63.96 | 3 | 7 | 0 | 86 | 341.481 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.12 | 3.4 | -41 | 2 | 7 | -1 | 85 | 340.473 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.66 | 6.79 | -48.15 | 4 | 7 | 1 | 83 | 342.489 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
