| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 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) | 1.87 | 4.99 | -116.14 | 4 | 3 | 2 | 41 | 222.332 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.87 | 3.11 | -32.6 | 2 | 3 | 0 | 43 | 220.316 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.87 | 3.71 | -38.7 | 3 | 3 | 1 | 37 | 221.324 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
