In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 20 | Yes |
Popular Name: 3-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-9-azaspiro[5.5]undecane 3-[(1S,6R)-3,9-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) | 1.12 | 5.5 | -84.93 | 4 | 3 | 2 | 33 | 279.472 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.12 | 5.5 | -86.68 | 4 | 3 | 2 | 36 | 279.472 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.12 | 6.94 | -177.45 | 5 | 3 | 3 | 38 | 280.48 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.