| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 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) | 1.91 | 3.74 | -40.5 | 3 | 3 | 1 | 38 | 221.324 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 3.51 | -37.42 | 3 | 3 | 1 | 38 | 221.324 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 2.4 | -3.07 | 2 | 3 | 0 | 33 | 220.316 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.91 | 4.85 | -124.14 | 4 | 3 | 2 | 42 | 222.332 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
