In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 23rd, 2010 | 16 | Yes |
Popular Name: 1-(4-isobutylpiperazin-1-yl)-2,2-dimethyl-propan-1-one 1-(4-isobutylpiperazin-1-yl)-2,2…
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) | 2.38 | 7.07 | -43.11 | 1 | 3 | 1 | 25 | 227.372 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.38 | 5.13 | -6.96 | 0 | 3 | 0 | 24 | 226.364 | 3 | ↓ |