In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 26th, 2008 | 22 | Yes |
Popular Name: 4-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-4-oxo-butanoic 4-[4-[(1-ethyl-5-methyl-pyrazol-…
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) | -0.28 | 4.72 | -51.31 | 0 | 7 | -1 | 82 | 307.374 | 6 | ↓ |
Mid Mid (pH 6-8) | -0.28 | 7.01 | -75.93 | 1 | 7 | 0 | 83 | 308.382 | 6 | ↓ |
Lo Low (pH 4.5-6) | -0.28 | 5.89 | -50.55 | 2 | 7 | 1 | 80 | 309.39 | 6 | ↓ |