| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 15 | 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) | 1.12 | 3.98 | -85.57 | 3 | 3 | 2 | 24 | 213.369 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.12 | 2.52 | -31.7 | 2 | 3 | 1 | 20 | 212.361 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.12 | 1.71 | -36.94 | 2 | 3 | 1 | 23 | 212.361 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.12 | 0.24 | -1.14 | 1 | 3 | 0 | 19 | 211.353 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
