| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 2011 | 28 | 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) | -0.50 | 4.45 | -26.44 | 2 | 10 | 0 | 125 | 398.391 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 4.38 | -105.38 | 0 | 10 | -2 | 130 | 396.375 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.06 | 3.32 | -55.51 | 1 | 10 | -1 | 128 | 397.383 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
