In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 18 | Yes |
Popular Name: 1-(4-isobutylpiperazin-1-yl)-2-[(2R)-pyrrolidin-2-yl]ethanone 1-(4-isobutylpiperazin-1-yl)-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) | 2.35 | 4.91 | -34.04 | 2 | 4 | 1 | 40 | 254.398 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.35 | 6.83 | -87.65 | 3 | 4 | 2 | 41 | 255.406 | 4 | ↓ |