| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 26th, 2014 | 58 | 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) | 3.12 | 5.64 | -83.25 | 7 | 16 | 2 | 202 | 837.102 | 12 | ↓ |
| Hi High (pH 8-9.5) | 3.12 | 3.04 | -41.3 | 6 | 16 | 1 | 198 | 836.094 | 12 | ↓ |
| Hi High (pH 8-9.5) | 3.12 | 0.64 | -18.36 | 5 | 16 | 0 | 196 | 835.086 | 12 | ↓ |
No pre-computed analogs available. Try a structural similarity search.