| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 21 | 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) | 4.41 | 10.54 | -86.39 | 3 | 3 | 2 | 34 | 309.523 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.41 | 8.8 | -4.59 | 1 | 3 | 0 | 28 | 307.507 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.41 | 10.14 | -37.25 | 2 | 3 | 1 | 33 | 308.515 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
