In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2010 | 19 | Yes |
Popular Name: (1S)-N-[2-(azepan-1-yl)ethyl]-1-(4-bromophenyl)ethanamine (1S)-N-[2-(azepan-1-yl)ethyl]-1-…
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) | 4.31 | 10.22 | -126.26 | 3 | 2 | 2 | 21 | 327.31 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.31 | 9.12 | -35.84 | 2 | 2 | 1 | 16 | 326.302 | 5 | ↓ |