In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 19 | No |
Popular Name: 2-(1,4-diazepan-1-yl)-2-oxo-N-(4-pyridylmethyl)acetamide 2-(1,4-diazepan-1-yl)-2-oxo-N-(4…
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) | -1.55 | 2.32 | -45.55 | 3 | 6 | 1 | 79 | 263.321 | 3 | ↓ |
Hi High (pH 8-9.5) | -1.55 | 1.02 | -7.33 | 2 | 6 | 0 | 74 | 262.313 | 3 | ↓ |
Lo Low (pH 4.5-6) | -1.55 | 2.77 | -85.85 | 4 | 6 | 2 | 80 | 264.329 | 3 | ↓ |