| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 25th, 2007 | 22 | 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) | -0.84 | 0.33 | -13.18 | 4 | 7 | 0 | 114 | 298.302 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.78 | -1.35 | -42.15 | 5 | 7 | 1 | 119 | 299.31 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.84 | -4.85 | -46.61 | 5 | 7 | 1 | 115 | 299.31 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
