In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 17 | Yes |
Popular Name: (4aR,8aR)-1-[2-[(2S)-pyrrolidin-2-yl]ethyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aR,8aR)-1-[2-[(2S)-pyrrolidin-…
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) | 2.96 | 8.68 | -103.59 | 3 | 2 | 2 | 21 | 238.419 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.96 | 7.5 | -28.33 | 2 | 2 | 1 | 16 | 237.411 | 3 | ↓ |