| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 16 | Yes |
| 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) | 1.16 | 2.92 | -58.37 | 1 | 6 | -1 | 102 | 263.32 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.23 | 2.4 | -99.35 | 0 | 6 | -2 | 101 | 262.312 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.16 | 0.94 | -21 | 2 | 6 | 0 | 100 | 264.328 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
