In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 20 | Yes |
Popular Name: 1,3-dimethyl-5-[[[(3R)-2-oxoazepan-3-yl]amino]methyl]pyrimidine-2,4-dione 1,3-dimethyl-5-[[[(3R)-2-oxoazep…
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) | -1.05 | 3.22 | -50.44 | 3 | 7 | 1 | 90 | 281.336 | 3 | ↓ |
Hi High (pH 8-9.5) | -1.05 | 2.96 | -14.84 | 2 | 7 | 0 | 85 | 280.328 | 3 | ↓ |