In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2010 | 17 | Yes |
Popular Name: N'-[2-(azepan-1-yl)ethyl]-N,N-diethyl-ethane-1,2-diamine N'-[2-(azepan-1-yl)ethyl]-N,N-di…
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) | 1.97 | 7.28 | -82.91 | 3 | 3 | 2 | 21 | 243.439 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.97 | 5.18 | -32.31 | 2 | 3 | 1 | 20 | 242.431 | 8 | ↓ |