In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 31 | Yes |
Popular Name: N-[2-[1-[2-(azepan-1-yl)ethyl]indol-3-yl]ethyl]-3,5-dimethyl-benzamide N-[2-[1-[2-(azepan-1-yl)ethyl]in…
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) | 5.42 | 15.13 | -50.53 | 2 | 4 | 1 | 38 | 418.605 | 7 | ↓ |
Hi High (pH 8-9.5) | 5.42 | 13.31 | -11.73 | 1 | 4 | 0 | 37 | 417.597 | 7 | ↓ |