| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 27 | 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) | 3.07 | 4.26 | -38.47 | 4 | 5 | 1 | 65 | 383.903 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.07 | 3.77 | -6.84 | 3 | 5 | 0 | 64 | 382.895 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.07 | 6.8 | -112.02 | 5 | 5 | 2 | 67 | 384.911 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
