In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2009 | 18 | Yes |
Popular Name: N,N-dimethyl-N'-[[2-(2-pyridyl)thiazol-4-yl]methyl]ethane-1,2-diamine N,N-dimethyl-N'-[[2-(2-pyridyl)t…
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) | 1.47 | 4.19 | -38.57 | 2 | 4 | 1 | 42 | 263.39 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.47 | 1.71 | -8.86 | 1 | 4 | 0 | 41 | 262.382 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.47 | 3.09 | -41.02 | 2 | 4 | 1 | 46 | 263.39 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.47 | 5.56 | -111.98 | 3 | 4 | 2 | 47 | 264.398 | 6 | ↓ |