| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 19 | 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) | 0.54 | 3.73 | -59.17 | 3 | 8 | 1 | 117 | 263.233 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.54 | 2.03 | -15 | 2 | 8 | 0 | 113 | 262.225 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.00 | -0.04 | -37.8 | 1 | 8 | -1 | 116 | 261.217 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.00 | 1.66 | -70.78 | 2 | 8 | 0 | 121 | 262.225 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
