| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 15th, 2008 | 28 | 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) | 4.13 | 5.7 | -48.55 | 1 | 8 | -1 | 128 | 397.388 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.13 | 6.71 | -104.93 | 0 | 8 | -2 | 131 | 396.38 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.52 | 5.99 | -47.67 | 1 | 8 | -1 | 128 | 397.388 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.52 | 6.77 | -107.08 | 0 | 8 | -2 | 131 | 396.38 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.06 | 7.39 | -19.7 | 2 | 8 | 0 | 125 | 398.396 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
