In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 24 | Yes |
Popular Name: (5S)-3-(6-isoindolin-2-ylhexyl)-3,7-diazaspiro[4.4]nonane (5S)-3-(6-isoindolin-2-ylhexyl)-…
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) | 3.03 | 12 | -162.51 | 4 | 3 | 3 | 25 | 330.54 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.03 | 9.48 | -86.88 | 3 | 3 | 2 | 24 | 329.532 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.03 | 10.58 | -90.01 | 3 | 3 | 2 | 21 | 329.532 | 7 | ↓ |