| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2011 | 28 | 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) | 2.52 | 5.11 | -43.55 | 0 | 6 | -1 | 86 | 391.325 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.34 | 7.53 | -12.28 | 1 | 6 | 0 | 80 | 392.333 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.34 | 7.58 | -15.39 | 1 | 6 | 0 | 80 | 392.333 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
