In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2011 | 25 | Yes |
Popular Name: 3-methyl-8-[(6-phenoxy-3-pyridyl)methyl]-3,8-diazaspiro[4.5]decane 3-methyl-8-[(6-phenoxy-3-pyridyl…
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) | 3.24 | 10.32 | -104.28 | 2 | 4 | 2 | 31 | 339.483 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.24 | 7.7 | -45.07 | 1 | 4 | 1 | 30 | 338.475 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.24 | 8.07 | -39.8 | 1 | 4 | 1 | 30 | 338.475 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.