In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 16 | Yes |
Popular Name: (4-prop-2-ynylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone (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) | -0.11 | 2.66 | -38.3 | 2 | 4 | 1 | 40 | 222.312 | 2 | ↓ |
Lo Low (pH 4.5-6) | -0.11 | 4.92 | -93.6 | 3 | 4 | 2 | 41 | 223.32 | 2 | ↓ |