| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 38 | 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) | 4.68 | 12.4 | -68.78 | 1 | 8 | 0 | 93 | 524.658 | 14 | ↓ |
| Hi High (pH 8-9.5) | 4.68 | 10.08 | -58.74 | 0 | 8 | -1 | 91 | 523.65 | 14 | ↓ |
| Mid Mid (pH 6-8) | 5.12 | 1.81 | -44.74 | 2 | 8 | 1 | 89 | 525.666 | 13 | ↓ |
| Mid Mid (pH 6-8) | 4.09 | 2.07 | -47.68 | 1 | 8 | 1 | 86 | 525.666 | 14 | ↓ |
No pre-computed analogs available. Try a structural similarity search.