| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 9th, 2011 | 27 | 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) | 2.70 | 6.5 | -45.72 | 5 | 8 | 1 | 106 | 386.819 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.57 | 6.81 | -52.06 | 3 | 8 | -1 | 110 | 384.803 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.57 | 6.04 | -21.01 | 4 | 8 | 0 | 107 | 385.811 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.57 | 6.55 | -44.47 | 5 | 8 | 1 | 109 | 386.819 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
