| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 13 | 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) | -0.77 | -2.34 | -37.69 | 3 | 6 | 0 | 84 | 182.231 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.77 | -0.16 | -47.57 | 3 | 6 | 0 | 83 | 182.231 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.77 | -0.17 | -35.7 | 4 | 6 | 1 | 85 | 183.239 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.77 | 0.01 | -42.13 | 4 | 6 | 1 | 85 | 183.239 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.77 | 0.03 | -88.82 | 4 | 6 | 1 | 85 | 183.239 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
