In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2011 | 21 | Yes |
Popular Name: 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-5-methyl-furan-2-carboxylic 4-(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) | 1.99 | 8.91 | -67.92 | 1 | 5 | 0 | 67 | 287.315 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.99 | 6.8 | -51.7 | 0 | 5 | -1 | 66 | 286.307 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.