In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 21 | Yes |
Popular Name: 2-(4-isopropylpiperazin-1-yl)-1-(2,4,6-trimethylphenyl)ethanone 2-(4-isopropylpiperazin-1-yl)-1-…
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) | 3.26 | 9.14 | -34.37 | 1 | 3 | 1 | 25 | 289.443 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.26 | 6.69 | -5.99 | 0 | 3 | 0 | 24 | 288.435 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.26 | 8.87 | -36.77 | 1 | 3 | 1 | 25 | 289.443 | 4 | ↓ |