In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 19 | Yes |
Popular Name: 3-[(1S)-2-amino-1-(4-fluorophenyl)ethoxy]benzonitrile 3-[(1S)-2-amino-1-(4-fluoropheny…
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) | 2.28 | 6.51 | -60.05 | 3 | 3 | 1 | 61 | 257.288 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.28 | 6.2 | -8.82 | 2 | 3 | 0 | 59 | 256.28 | 4 | ↓ |