In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 27 | Yes |
Popular Name: N'-[[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethyl-ethane-1,2-diamine N'-[[1-benzyl-3-(4-methoxyphenyl…
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) | 3.23 | 10.53 | -44 | 2 | 5 | 1 | 44 | 365.501 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.23 | 8.08 | -9.63 | 1 | 5 | 0 | 42 | 364.493 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.23 | 8.7 | -48.51 | 2 | 5 | 1 | 47 | 365.501 | 9 | ↓ |