| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 17th, 2013 | 14 | 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) | 1.88 | 3.47 | -101.97 | 6 | 3 | 2 | 68 | 195.31 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.88 | 3.09 | -27.55 | 5 | 3 | 1 | 66 | 194.302 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.88 | 2.99 | -46.35 | 5 | 3 | 1 | 67 | 194.302 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.