In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 19 | Yes |
Popular Name: 1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-[[(1R)-1-methylpropyl]amino]ethanone 1-[4-(2-methoxyethyl)-1,4-diazep…
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) | 0.80 | 6.15 | -90.53 | 3 | 5 | 2 | 51 | 273.421 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.80 | 5.1 | -37.04 | 2 | 5 | 1 | 46 | 272.413 | 7 | ↓ |