| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2011 | 38 | 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) | 5.06 | 9.86 | -31 | 2 | 8 | 1 | 87 | 518.634 | 7 | ↓ |
| Hi High (pH 8-9.5) | 5.06 | 10.13 | -62.38 | 0 | 8 | -1 | 88 | 516.618 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.06 | 9.5 | -12.63 | 1 | 8 | 0 | 86 | 517.626 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
