In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2011 | 18 | Yes |
Popular Name: (1R,5S)-8-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-8-[(4R)-4,5,6,7-tetrahyd…
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) | 1.98 | 4.5 | -45.12 | 3 | 2 | 1 | 31 | 263.43 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.98 | 6.46 | -107.09 | 4 | 2 | 2 | 32 | 264.438 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.