| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 29 | 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) | 3.54 | 11.73 | -44.37 | 1 | 4 | 1 | 38 | 384.503 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.54 | 10.71 | -12.47 | 0 | 4 | 0 | 36 | 383.495 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.54 | 12.2 | -81.97 | 2 | 4 | 2 | 39 | 385.511 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
