| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 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) | 1.00 | 7.52 | -42.08 | 3 | 6 | 1 | 69 | 315.426 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 7.01 | -13.03 | 2 | 6 | 0 | 68 | 314.418 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.00 | 8.9 | -101.65 | 4 | 6 | 2 | 73 | 316.434 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
