In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 22 | Yes |
Popular Name: 2-[9-hydroxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide 2-[9-hydroxy-7-(5-methyl-2-thien…
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) | 1.60 | 3.76 | -44.45 | 4 | 5 | 1 | 77 | 319.406 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.60 | 1.73 | -13.09 | 3 | 5 | 0 | 76 | 318.398 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.