In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2011 | 21 | No |
Popular Name: 3-[[3-(2,5-dioxoimidazolidin-1-yl)propyl-methyl-amino]methyl]benzonitrile 3-[[3-(2,5-dioxoimidazolidin-1-y…
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) | 0.60 | 6.13 | -51.42 | 2 | 6 | 1 | 78 | 287.343 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.60 | 3.8 | -13.59 | 1 | 6 | 0 | 76 | 286.335 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.