| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 18 | 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) | 2.27 | 4.03 | -9.6 | 3 | 4 | 0 | 68 | 259.334 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.27 | 4.09 | -36.11 | 2 | 4 | -1 | 66 | 258.326 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.27 | 4.4 | -38.71 | 4 | 4 | 1 | 69 | 260.342 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
