In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 19 | No |
Popular Name: N-[2-[4-(chloromethyl)thiazol-2-yl]ethyl]-N-isobutyl-N',N'-dimethyl-ethane-1,2-diamine N-[2-[4-(chloromethyl)thiazol-2-…
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) | 2.78 | 7.82 | -38.95 | 1 | 3 | 1 | 21 | 304.911 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.78 | 5.36 | -4.4 | 0 | 3 | 0 | 19 | 303.903 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.78 | 6.98 | -38.46 | 1 | 3 | 1 | 21 | 304.911 | 9 | ↓ |
Lo Low (pH 4.5-6) | 2.78 | 9.45 | -115.55 | 2 | 3 | 2 | 22 | 305.919 | 9 | ↓ |