| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 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) | -1.27 | -1.05 | -52.61 | 3 | 6 | 1 | 69 | 241.315 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.27 | -2.37 | -11.59 | 2 | 6 | 0 | 65 | 240.307 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.27 | -0.11 | -50.38 | 3 | 6 | 1 | 66 | 241.315 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.27 | 1.21 | -107.62 | 4 | 6 | 2 | 70 | 242.323 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
