In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2010 | 20 | Yes |
Popular Name: 2-(4-acetyl-1,4-diazepan-1-yl)-N-(4-methylthiazol-2-yl)acetamide 2-(4-acetyl-1,4-diazepan-1-yl)-N…
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) | 0.31 | 5.59 | -52.32 | 2 | 6 | 1 | 67 | 297.404 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.87 | 3.16 | -13.02 | 1 | 6 | 0 | 69 | 296.396 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.13 | 5.05 | -37.67 | 1 | 6 | 0 | 73 | 296.396 | 3 | ↓ |