In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2010 | 16 | Yes |
Popular Name: [5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-2-methyl-3-furyl]methanamine [5-[[(1S,4R)-5-azabicyclo[2.2.1]…
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) | 1.23 | 5.52 | -93.27 | 4 | 3 | 2 | 45 | 222.332 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.23 | 5.11 | -31.7 | 3 | 3 | 1 | 44 | 221.324 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.