In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 30 | Yes |
Popular Name: 1-(2-methoxyethyl)-4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperazine 1-(2-methoxyethyl)-4-[[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) | 3.42 | 9.61 | -40.56 | 1 | 6 | 1 | 44 | 407.538 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.42 | 9.79 | -37.38 | 1 | 6 | 1 | 44 | 407.538 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.42 | 7.45 | -9.8 | 0 | 6 | 0 | 43 | 406.53 | 8 | ↓ |