In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 18 | Yes |
Popular Name: N-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]ethanamine N-[[2-chloro-6-(3,5-dimethylpyra…
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) | 2.83 | 8.15 | -28.37 | 2 | 3 | 1 | 34 | 264.78 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.83 | 6.77 | -6.68 | 1 | 3 | 0 | 30 | 263.772 | 4 | ↓ |