| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 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) | 0.75 | 3.19 | -50.31 | 4 | 4 | 1 | 65 | 215.28 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.75 | 2.79 | -8.65 | 3 | 4 | 0 | 64 | 214.272 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.75 | 3.37 | -88.93 | 5 | 4 | 2 | 67 | 216.288 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.75 | 3.36 | -88.05 | 5 | 4 | 2 | 67 | 216.288 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
