In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2010 | 21 | Yes |
Popular Name: (1R,5S)-7-isopropyl-N-[(1S)-1-(2-thienyl)propyl]-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-isopropyl-N-[(1S)-1-(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) | 4.66 | 10.64 | -141.77 | 3 | 2 | 0 | 21 | 308.535 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.66 | 9.73 | -62.56 | 2 | 2 | 0 | 16 | 307.527 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.