In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2011 | 26 | Yes |
Popular Name: 3-[[1-(o-tolyl)pyrazol-4-yl]methyl]-3,9-diazaspiro[5.6]dodecan-10-one 3-[[1-(o-tolyl)pyrazol-4-yl]meth…
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) | 2.26 | 9.51 | -52.85 | 2 | 5 | 1 | 51 | 353.49 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.26 | 7.26 | -11.54 | 1 | 5 | 0 | 50 | 352.482 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.