In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2010 | 17 | Yes |
Popular Name: N'-ethyl-N-[(1S)-1-(4-fluorophenyl)propyl]-N'-methyl-ethane-1,2-diamine N'-ethyl-N-[(1S)-1-(4-fluorophen…
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) | 2.23 | 6.32 | -41.19 | 2 | 2 | 1 | 20 | 239.358 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 7.4 | -36.08 | 2 | 2 | 1 | 16 | 239.358 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 8.63 | -116.03 | 3 | 2 | 2 | 21 | 240.366 | 7 | ↓ |