| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 13th, 2008 | 32 | 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) | 3.98 | 10.87 | -112.43 | 0 | 8 | -2 | 119 | 474.252 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.40 | 9.84 | -63.06 | 0 | 8 | -1 | 113 | 475.26 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.98 | 8.69 | -69.87 | 1 | 8 | -1 | 116 | 475.26 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
