In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2011 | 19 | Yes |
Popular Name: 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-fluoro-aniline 2-(3,5-dihydro-2H-1,4-benzoxazep…
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) | 2.88 | 6.87 | -4.46 | 2 | 3 | 0 | 38 | 258.296 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.88 | 6.83 | -32.52 | 3 | 3 | 1 | 40 | 259.304 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.