In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 13 | Yes |
Popular Name: N-ethyl-N'-[(2-methylthiazol-4-yl)methyl]ethane-1,2-diamine N-ethyl-N'-[(2-methylthiazol-4-y…
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) | 0.19 | 1.76 | -37.61 | 3 | 3 | 1 | 42 | 200.331 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.19 | 0.39 | -4.19 | 2 | 3 | 0 | 37 | 199.323 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.19 | 3.11 | -112.92 | 4 | 3 | 2 | 46 | 201.339 | 6 | ↓ |