In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 14 | Yes |
Popular Name: N-ethyl-N'-methyl-N'-[(2-methylthiazol-4-yl)methyl]ethane-1,2-diamine N-ethyl-N'-methyl-N'-[(2-methylt…
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) | 0.44 | 2.89 | -39.02 | 2 | 3 | 1 | 33 | 214.358 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.44 | 1.52 | -4.45 | 1 | 3 | 0 | 28 | 213.35 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.44 | 5.23 | -110.03 | 3 | 3 | 2 | 34 | 215.366 | 6 | ↓ |