| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2011 | 14 | 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) | 1.45 | 5.25 | -24.5 | 1 | 3 | 0 | 45 | 215.318 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.45 | 4.92 | -48.63 | 0 | 3 | -1 | 43 | 214.31 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.45 | 4.68 | -50.17 | 0 | 3 | -1 | 43 | 214.31 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.60 | 6.23 | -43.51 | 1 | 3 | 1 | 39 | 216.326 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
