In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2010 | 23 | Yes |
Popular Name: N-cycloheptyl-N-methyl-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide N-cycloheptyl-N-methyl-3-(4-meth…
None
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) | 3.76 | 7.78 | -13.56 | 1 | 5 | 0 | 66 | 337.489 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.22 | 5.83 | -50.62 | 0 | 5 | -1 | 69 | 336.481 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.