In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2011 | 15 | Yes |
Popular Name: (1R,5S)-3-(4-methylpiperazin-1-yl)-8-azabicyclo[3.2.1]octane (1R,5S)-3-(4-methylpiperazin-1-y…
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) | 0.79 | 5.96 | -82.7 | 3 | 3 | 2 | 24 | 211.353 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.79 | 3.56 | -34.5 | 2 | 3 | 1 | 23 | 210.345 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.