In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 11th, 2011 | 23 | Yes |
Popular Name: 2-[9-hydroxy-7-(o-tolyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetic 2-[9-hydroxy-7-(o-tolyl)-3,5-dih…
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 | 8.14 | -32.82 | 2 | 5 | 0 | 74 | 313.353 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.60 | 6.15 | -47.29 | 1 | 5 | -1 | 73 | 312.345 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.