In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 17 | Yes |
Popular Name: N-[(5-chlorothiadiazol-4-yl)methyl]-N-isobutyl-N',N'-dimethyl-ethane-1,2-diamine N-[(5-chlorothiadiazol-4-yl)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) | 2.53 | 5.81 | -39.17 | 1 | 4 | 1 | 33 | 277.845 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.53 | 3.2 | -2.82 | 0 | 4 | 0 | 32 | 276.837 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.53 | 7.18 | -108.4 | 2 | 4 | 2 | 35 | 278.853 | 7 | ↓ |