In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 15 | Yes |
Popular Name: N',N',2-trimethyl-N-[(2-methylthiazol-4-yl)methyl]propane-1,2-diamine N',N',2-trimethyl-N-[(2-methylth…
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) | 1.22 | 4.36 | -34.79 | 2 | 3 | 1 | 29 | 228.385 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.22 | 2.39 | -4.62 | 1 | 3 | 0 | 28 | 227.377 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.22 | 3.69 | -34.39 | 2 | 3 | 1 | 33 | 228.385 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.22 | 5.66 | -110.4 | 3 | 3 | 2 | 34 | 229.393 | 5 | ↓ |