| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 19th, 2013 | 54 | No |
| 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) | 7.45 | 12.18 | -19 | 3 | 12 | 0 | 138 | 776.042 | 20 | ↓ |
| Mid Mid (pH 6-8) | 7.45 | 14.45 | -57.24 | 4 | 12 | 1 | 139 | 777.05 | 20 | ↓ |
No pre-computed analogs available. Try a structural similarity search.