In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 21 | Yes |
Popular Name: (1S)-N-ethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-1-(p-tolyl)ethane-1,2-diamine (1S)-N-ethyl-N'-methyl-N'-[(1-me…
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) | 2.31 | 7.56 | -41.24 | 2 | 4 | 1 | 38 | 287.431 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.31 | 5.87 | -5.15 | 1 | 4 | 0 | 33 | 286.423 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.31 | 9.44 | -128.24 | 3 | 4 | 2 | 39 | 288.439 | 7 | ↓ |