| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 11th, 2011 | 27 | No |
Popular Name: [(1S)-1-[[4-(dimethylamino)-2-(6-oxo-1H-pyridazin-3-yl)phenoxy]methyl]-3-oxo-butyl] [(1S)-1-[[4-(dimethylamino)-2-(6…
| 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) | 1.70 | 7.13 | -15.57 | 1 | 8 | 0 | 102 | 373.409 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | 5.28 | -52.64 | 0 | 8 | -1 | 105 | 372.401 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.70 | 7.87 | -49.31 | 2 | 8 | 0 | 103 | 374.417 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
