In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 20 | Yes |
Popular Name: (1R)-N,N'-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]-1-(o-tolyl)ethane-1,2-diamine (1R)-N,N'-dimethyl-N'-[(1-methyl…
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) | 1.89 | 7.36 | -39.24 | 2 | 4 | 1 | 34 | 273.404 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.89 | 4.86 | -6.22 | 1 | 4 | 0 | 33 | 272.396 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.89 | 8.3 | -126.59 | 3 | 4 | 2 | 39 | 274.412 | 6 | ↓ |