In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 20 | Yes |
Popular Name: (1R,6S)-6-(4-prop-2-ynylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic (1R,6S)-6-(4-prop-2-ynylpiperazi…
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) | 0.62 | 6.13 | -46.68 | 0 | 5 | -1 | 64 | 275.328 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.62 | 8.37 | -48.31 | 1 | 5 | 0 | 65 | 276.336 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.62 | 3.92 | -9.36 | 1 | 5 | 0 | 61 | 276.336 | 3 | ↓ |