| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 12 | 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) | -1.17 | 2.55 | -99.4 | 6 | 3 | 2 | 68 | 165.24 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.17 | 1.78 | -3.95 | 4 | 3 | 0 | 65 | 163.224 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.17 | 2.08 | -47.16 | 5 | 3 | 1 | 67 | 164.232 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
