| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 13th, 2008 | 31 | 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) | 4.04 | 11.81 | -98.19 | 0 | 7 | -2 | 113 | 452.875 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.46 | 10.21 | -49.79 | 0 | 7 | -1 | 107 | 453.883 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.04 | 9.16 | -67.81 | 1 | 7 | -1 | 111 | 453.883 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
