| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 24 | 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) | -0.79 | 1.12 | -59.35 | 2 | 7 | 0 | 75 | 339.46 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.79 | 1.06 | -62.21 | 2 | 7 | 0 | 75 | 339.46 | 8 | ↓ |
| Lo Low (pH 4.5-6) | -0.79 | 3.27 | -114.85 | 3 | 7 | 0 | 77 | 340.468 | 8 | ↓ |
| Lo Low (pH 4.5-6) | -0.79 | 3.3 | -106.65 | 3 | 7 | 0 | 77 | 340.468 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
