| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2013 | 54 | 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) | 7.30 | 14.77 | -23.65 | 3 | 13 | 0 | 163 | 737.902 | 14 | ↓ |
| Mid Mid (pH 6-8) | 7.30 | 14.83 | -24.89 | 3 | 13 | 0 | 163 | 737.902 | 14 | ↓ |
| Mid Mid (pH 6-8) | 7.30 | 15.41 | -24.41 | 3 | 13 | 0 | 163 | 737.902 | 14 | ↓ |
| Mid Mid (pH 6-8) | 7.30 | 14.85 | -25.97 | 3 | 13 | 0 | 163 | 737.902 | 14 | ↓ |
| Lo Low (pH 4.5-6) | 7.30 | 15.88 | -79.87 | 5 | 13 | 2 | 165 | 739.918 | 14 | ↓ |
No pre-computed analogs available. Try a structural similarity search.