In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 20 | No |
Popular Name: 2-(1,4-diazepan-1-yl)-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]-2-oxo-acetamide 2-(1,4-diazepan-1-yl)-N-[(3R)-3-…
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) | -1.70 | -0.35 | -53.83 | 3 | 7 | 1 | 100 | 304.392 | 2 | ↓ |
Hi High (pH 8-9.5) | -1.70 | -1.64 | -13.73 | 2 | 7 | 0 | 96 | 303.384 | 2 | ↓ |