In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 20 | Yes |
Popular Name: 1-[(1S,2S,4R)-norbornan-2-yl]-4-(3-pyridylmethyl)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) | 1.93 | 7.59 | -36.1 | 1 | 3 | 1 | 21 | 272.416 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.93 | 5.31 | -3.55 | 0 | 3 | 0 | 19 | 271.408 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.93 | 8.03 | -87.13 | 2 | 3 | 2 | 22 | 273.424 | 3 | ↓ |