In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 28 | Yes |
Popular Name: 3-fluoro-N-[6-[4-[(2S)-2-hydroxybutyl]-1,4-diazepan-1-yl]-3-pyridyl]benzamide 3-fluoro-N-[6-[4-[(2S)-2-hydroxy…
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) | 2.74 | 8.47 | -44.79 | 3 | 6 | 1 | 70 | 387.479 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.74 | 8.81 | -100.24 | 4 | 6 | 2 | 71 | 388.487 | 6 | ↓ |