| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 28th, 2014 | 42 | 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) | 5.99 | 13.47 | -60.33 | 0 | 7 | -1 | 82 | 567.706 | 10 | ↓ |
| Mid Mid (pH 6-8) | 5.99 | 15.75 | -69.35 | 1 | 7 | 0 | 83 | 568.714 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 5.99 | 12.58 | -12.96 | 1 | 7 | 0 | 79 | 568.714 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.