| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 20 | 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) | -0.12 | -0.34 | -58.76 | 5 | 6 | 1 | 102 | 273.316 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.12 | -0.73 | -20.34 | 4 | 6 | 0 | 100 | 272.308 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.11 | -0.97 | -55.59 | 4 | 6 | 0 | 105 | 272.308 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.30 | 0.36 | -54.85 | 5 | 6 | 1 | 99 | 273.316 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.12 | 0.63 | -85.89 | 6 | 6 | 2 | 104 | 274.324 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.30 | 0.75 | -84.75 | 6 | 6 | 2 | 100 | 274.324 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
