In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2010 | 18 | Yes |
Popular Name: 4-[5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-3-thienyl]but-3-yn-1-ol 4-[5-[[(1S,4R)-5-azabicyclo[2.2.…
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) | 2.30 | 7.14 | -35.27 | 2 | 2 | 1 | 25 | 262.398 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.30 | 4.92 | -5.08 | 1 | 2 | 0 | 23 | 261.39 | 3 | ↓ |