In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 19 | Yes |
Popular Name: 1-(4-isopentylpiperazin-1-yl)-2-[(2S)-pyrrolidin-2-yl]ethanone 1-(4-isopentylpiperazin-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) | 2.88 | 5.23 | -33.95 | 2 | 4 | 1 | 40 | 268.425 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.88 | 7.44 | -89.52 | 3 | 4 | 2 | 41 | 269.433 | 5 | ↓ |