| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2005 | 12 | 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) | -0.72 | -3.55 | -10.12 | 5 | 5 | 0 | 99 | 168.152 | 1 | ↓ |
| Ref Reference (pH 7) | -0.72 | -3.74 | -9.77 | 5 | 5 | 0 | 99 | 168.152 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.79 | -1.56 | -98.64 | 4 | 5 | -1 | 98 | 167.144 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.72 | -3.79 | -37.37 | 6 | 5 | 1 | 101 | 169.16 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.72 | -3.7 | -35.54 | 6 | 5 | 1 | 101 | 169.16 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.