In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 30 | Yes |
Popular Name: N'-[2-[1-[2-(azepan-1-yl)ethyl]indol-3-yl]ethyl]-N,N-dimethyl-butanediamide N'-[2-[1-[2-(azepan-1-yl)ethyl]i…
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) | 2.33 | 11.78 | -51.41 | 2 | 6 | 1 | 59 | 413.586 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.33 | 9.93 | -12.51 | 1 | 6 | 0 | 58 | 412.578 | 9 | ↓ |