In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 18 | Yes |
Popular Name: 4-[4-(2-amino-2-oxo-ethyl)-1,4-diazepan-1-yl]-4-oxo-butanoic 4-[4-(2-amino-2-oxo-ethyl)-1,4-d…
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) | -1.66 | 3.08 | -66.83 | 3 | 7 | 0 | 108 | 257.29 | 5 | ↓ |
Hi High (pH 8-9.5) | -1.66 | 1.46 | -50.06 | 2 | 7 | -1 | 107 | 256.282 | 5 | ↓ |
Lo Low (pH 4.5-6) | -1.66 | 1.1 | -43.06 | 4 | 7 | 1 | 105 | 258.298 | 5 | ↓ |