In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2008 | 21 | Yes |
Popular Name: 1-[1-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-4-piperidyl]-4-methyl-piperazine 1-[1-[[(1R,4R,5S)-5-bicyclo[2.2.…
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) | 2.55 | 9.33 | -84.93 | 2 | 3 | 2 | 12 | 291.483 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.55 | 6.78 | -39.4 | 1 | 3 | 1 | 11 | 290.475 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.55 | 9.07 | -108.93 | 2 | 3 | 2 | 12 | 291.483 | 3 | ↓ |