| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 16th, 2011 | 16 | 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) | 1.34 | 2.29 | -44.11 | 3 | 3 | 1 | 50 | 215.276 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | 0.88 | -6.71 | 2 | 3 | 0 | 45 | 214.268 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.34 | 2.76 | -89.35 | 4 | 3 | 2 | 51 | 216.284 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
