In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2010 | 14 | Yes |
Popular Name: N'-isopropyl-N'-methyl-N-(4-methylthiazol-2-yl)ethane-1,2-diamine N'-isopropyl-N'-methyl-N-(4-meth…
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) | 1.77 | 5.48 | -39.25 | 2 | 3 | 1 | 29 | 214.358 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.77 | 3.21 | -4.63 | 1 | 3 | 0 | 28 | 213.35 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.77 | 5.92 | -84.83 | 3 | 3 | 2 | 31 | 215.366 | 5 | ↓ |