| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 17 | 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) | 0.97 | 6.64 | -47.94 | 3 | 4 | 1 | 48 | 231.323 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.97 | 4.25 | -7.85 | 2 | 4 | 0 | 47 | 230.315 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.97 | 7.12 | -91.92 | 4 | 4 | 2 | 50 | 232.331 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
