In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 17 | Yes |
Popular Name: 2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide 2-[4-(3-aminopropyl)-1,4-diazepa…
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) | -1.51 | 0.18 | -46.54 | 3 | 5 | 1 | 54 | 243.375 | 5 | ↓ |
Lo Low (pH 4.5-6) | -1.51 | 2.09 | -106.04 | 4 | 5 | 2 | 56 | 244.383 | 5 | ↓ |