In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2011 | 23 | Yes |
Popular Name: 1-[(1R,6S)-4,9-diazabicyclo[4.2.1]nonan-4-yl]-2-(5-phenyl-4H-1,2,4-triazol-3-yl)ethanone 1-[(1R,6S)-4,9-diazabicyclo[4.2.…
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) | 1.44 | 6.67 | -50.98 | 3 | 6 | 1 | 78 | 312.397 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.