In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 19 | Yes |
Popular Name: (5R)-3-[3-(4-chlorophenyl)propyl]-3,7-diazaspiro[4.4]nonane (5R)-3-[3-(4-chlorophenyl)propyl…
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) | 3.46 | 9.45 | -106.52 | 3 | 2 | 2 | 21 | 280.843 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.46 | 6.96 | -41.6 | 2 | 2 | 1 | 20 | 279.835 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.46 | 8.03 | -39.7 | 2 | 2 | 1 | 16 | 279.835 | 4 | ↓ |