In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2010 | 17 | Yes |
Popular Name: 1-[2-(1,4-diazepan-1-yl)-2-oxo-ethyl]-3-methyl-imidazolidin-2-one 1-[2-(1,4-diazepan-1-yl)-2-oxo-e…
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) | -0.98 | 3.9 | -55.66 | 2 | 6 | 1 | 60 | 241.315 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.98 | 2.56 | -18.45 | 1 | 6 | 0 | 56 | 240.307 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.