In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2009 | 17 | Yes |
Popular Name: N-[[2-(2-pyridyl)thiazol-4-yl]methyl]propane-1,3-diamine N-[[2-(2-pyridyl)thiazol-4-yl]me…
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) | 0.51 | 1.03 | -48.71 | 4 | 4 | 1 | 65 | 249.363 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.51 | 2.4 | -109.76 | 5 | 4 | 2 | 70 | 250.371 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.