In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 25 | Yes |
Popular Name: 1-[(1S,2S,4R)-norbornan-2-yl]-4-(4-phenylcyclohexyl)piperazine 1-[(1S,2S,4R)-norbornan-2-yl]-4-…
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) | 4.77 | 12.21 | -34.6 | 1 | 2 | 1 | 8 | 339.547 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.77 | 9.94 | -1.71 | 0 | 2 | 0 | 6 | 338.539 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.77 | 12.21 | -37.51 | 1 | 2 | 1 | 8 | 339.547 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.77 | 14.49 | -123.92 | 2 | 2 | 2 | 9 | 340.555 | 3 | ↓ |