| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 24th, 2009 | 16 | 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) | 1.99 | 1.49 | -37.35 | 3 | 3 | 1 | 40 | 227.372 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.99 | 2 | -27.04 | 3 | 3 | 1 | 37 | 227.372 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.99 | 0.12 | -2.98 | 2 | 3 | 0 | 35 | 226.364 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.99 | 3.32 | -109.73 | 4 | 3 | 2 | 41 | 228.38 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
