| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 10th, 2011 | 17 | 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) | 0.50 | 3.41 | -35.54 | 3 | 6 | 0 | 93 | 232.243 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.50 | 2.95 | -51.46 | 2 | 6 | -1 | 91 | 231.235 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.50 | 3.92 | -16.51 | 3 | 6 | 0 | 89 | 232.243 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.50 | 4.39 | -47.25 | 4 | 6 | 1 | 91 | 233.251 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
