| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 22 | 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) | -0.13 | 9.85 | -17.06 | 0 | 3 | 0 | 39 | 288.35 | 1 | ↓ |
| Mid Mid (pH 6-8) | -1.43 | 10.37 | -32.62 | 1 | 3 | 1 | 36 | 289.358 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.13 | 8.64 | -87.72 | 2 | 3 | 2 | 37 | 290.366 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
