| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2011 | 34 | 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) | 3.39 | 14.94 | -52.76 | 3 | 8 | 1 | 92 | 477.614 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.12 | 12.5 | -46.41 | 1 | 8 | -1 | 88 | 475.598 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.12 | 14.62 | -75.39 | 2 | 8 | 0 | 89 | 476.606 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
