In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 18 | No |
Popular Name: N-[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]-N',N'-dimethyl-N-propyl-ethane-1,2-diamine N-[4-(chloromethyl)-2,5-dimethyl…
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) | 2.25 | 9.21 | -40.34 | 1 | 4 | 1 | 26 | 273.832 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.25 | 6.74 | -4.78 | 0 | 4 | 0 | 24 | 272.824 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.25 | 9.34 | -84.37 | 2 | 4 | 2 | 27 | 274.84 | 7 | ↓ |