| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 12 | 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) | 1.72 | 4.49 | -107.41 | 3 | 2 | 2 | 21 | 170.3 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 2.52 | -37.44 | 2 | 2 | 1 | 20 | 169.292 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 0.84 | -0.72 | 1 | 2 | 0 | 15 | 168.284 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 2.82 | -28.67 | 2 | 2 | 1 | 16 | 169.292 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
