In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2010 | 17 | Yes |
Popular Name: 3-[[(1R,5S)-7-isopropyl-7-azabicyclo[3.3.1]nonan-9-yl]amino]propan-1-ol 3-[[(1R,5S)-7-isopropyl-7-azabic…
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) | 1.94 | 4.87 | -45.46 | 4 | 3 | 0 | 41 | 242.407 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.94 | 3.95 | -2.29 | 3 | 3 | 0 | 37 | 241.399 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.