In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 19 | Yes |
Popular Name: 1-(4-hydroxyphenyl)-2-(4-isopropylpiperazin-1-yl)ethanone 1-(4-hydroxyphenyl)-2-(4-isoprop…
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) | 1.58 | 4.32 | -36.61 | 2 | 4 | 1 | 45 | 263.361 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.58 | 2.85 | -42.72 | 0 | 4 | -1 | 47 | 261.345 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.58 | 2.08 | -8.43 | 1 | 4 | 0 | 44 | 262.353 | 4 | ↓ |