In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 20 | Yes |
Popular Name: 1-[(1R,2R,4S)-norbornan-2-yl]-4-(3-pyridylmethyl)piperazine 1-[(1R,2R,4S)-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) | 1.93 | 7.55 | -36.2 | 1 | 3 | 1 | 21 | 272.416 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.93 | 5.34 | -3.84 | 0 | 3 | 0 | 19 | 271.408 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.93 | 8.01 | -82.88 | 2 | 3 | 2 | 22 | 273.424 | 3 | ↓ |