In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 22 | Yes |
Popular Name: N-butyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-thienylmethyl)acetamide N-butyl-2-(3,6-dioxo-1H-pyridazi…
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) | 1.82 | 3.7 | -50.77 | 0 | 6 | -1 | 78 | 320.394 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.82 | 3.18 | -15.26 | 1 | 6 | 0 | 75 | 321.402 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.