| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2011 | 24 | 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) | -1.06 | 3.73 | -113.8 | 4 | 7 | 2 | 76 | 341.5 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.06 | 1.58 | -16.2 | 2 | 7 | 0 | 73 | 339.484 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.06 | 3.45 | -38.41 | 3 | 7 | 1 | 74 | 340.492 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -1.06 | 4.23 | -102.65 | 4 | 7 | 2 | 76 | 341.5 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
