In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 19 | No |
Popular Name: 3-[pyridazin-3-yl(3-pyridylmethyl)amino]propanethioamide 3-[pyridazin-3-yl(3-pyridylmethy…
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) | -0.22 | 5.21 | -17.79 | 2 | 5 | 0 | 68 | 273.365 | 6 | ↓ |
Mid Mid (pH 6-8) | -0.22 | 5.38 | -46.84 | 3 | 5 | 1 | 69 | 274.373 | 6 | ↓ |
Mid Mid (pH 6-8) | -0.22 | 5.1 | -37.06 | 3 | 5 | 1 | 69 | 274.373 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.