In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 21 | Yes |
Popular Name: 1-(4-benzylpiperazin-1-yl)-2-[(2S)-pyrrolidin-2-yl]ethanone 1-(4-benzylpiperazin-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) | 2.62 | 6.1 | -35.51 | 2 | 4 | 1 | 40 | 288.415 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.62 | 8.31 | -92.25 | 3 | 4 | 2 | 41 | 289.423 | 4 | ↓ |