In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 23 | Yes |
Popular Name: 1-[9-hydroxy-7-(3-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methoxy-ethanone 1-[9-hydroxy-7-(3-pyridyl)-3,5-d…
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) | 1.10 | 4.41 | -17.08 | 1 | 6 | 0 | 72 | 314.341 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.10 | 4.87 | -44.35 | 2 | 6 | 1 | 73 | 315.349 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.