| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2011 | 41 | 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) | 3.09 | 3.43 | -24.9 | 2 | 11 | 0 | 127 | 574.671 | 16 | ↓ |
| Hi High (pH 8-9.5) | 3.09 | 4.22 | -66.16 | 1 | 11 | -1 | 130 | 573.663 | 16 | ↓ |
| Mid Mid (pH 6-8) | 3.09 | 5.7 | -61.56 | 3 | 11 | 1 | 128 | 575.679 | 16 | ↓ |
No pre-computed analogs available. Try a structural similarity search.