| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 15th, 2010 | 34 | 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) | 3.97 | 11.18 | -51.44 | 5 | 9 | 1 | 112 | 479.634 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.97 | 10.87 | -46.44 | 5 | 9 | 1 | 112 | 479.634 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.97 | 12.02 | -85.34 | 6 | 9 | 2 | 113 | 480.642 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.97 | 11.42 | -82.19 | 6 | 9 | 2 | 113 | 480.642 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.