In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2011 | 19 | Yes |
Popular Name: 2-(4-ethyl-1,4-diazepan-1-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide 2-(4-ethyl-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) | 0.86 | 3.1 | -34.34 | 2 | 5 | 1 | 46 | 270.397 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.86 | 1.22 | -7.94 | 1 | 5 | 0 | 45 | 269.389 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.86 | 3.56 | -34.09 | 2 | 5 | 1 | 46 | 270.397 | 5 | ↓ |