In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 17 | Yes |
Popular Name: 1-(4-prop-2-ynylpiperazin-1-yl)-2-[(2S)-pyrrolidin-2-yl]ethanone 1-(4-prop-2-ynylpiperazin-1-yl)-…
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) | 1.38 | 3.7 | -36.65 | 2 | 4 | 1 | 40 | 236.339 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.38 | 5.94 | -91.92 | 3 | 4 | 2 | 41 | 237.347 | 3 | ↓ |