In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 20 | Yes |
Popular Name: 2-(dimethylamino)-1-[4-[2-[(2S)-pyrrolidin-2-yl]acetyl]piperazin-1-yl]ethanone 2-(dimethylamino)-1-[4-[2-[(2S)-…
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) | 0.57 | 5.25 | -83.05 | 3 | 6 | 2 | 62 | 284.404 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.57 | 2.85 | -40.9 | 2 | 6 | 1 | 60 | 283.396 | 4 | ↓ |