In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2010 | 20 | Yes |
Popular Name: (1R,5S)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-7-isopropyl-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-N-(3,5-dimethyl-1H-pyraz…
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) | 3.42 | 7.21 | -3.83 | 3 | 4 | 0 | 45 | 277.436 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.42 | 7.36 | -47.28 | 4 | 4 | 0 | 46 | 278.444 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.