In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2008 | 19 | Yes |
Popular Name: 1-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-4-cyclopentyl-piperazine 1-[[(1R,4R,5S)-5-bicyclo[2.2.1]h…
None
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) | 3.53 | 9.2 | -35.5 | 1 | 2 | 1 | 8 | 261.433 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.53 | 6.93 | -1.13 | 0 | 2 | 0 | 6 | 260.425 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.53 | 9.17 | -32.36 | 1 | 2 | 1 | 8 | 261.433 | 3 | ↓ |