In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2010 | 26 | No |
Popular Name: (2E)-2-[6-[(1-methyl-4-piperidyl)oxy]benzo[c][2]benzazepin-11-ylidene]acetonitrile (2E)-2-[6-[(1-methyl-4-piperidyl…
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) | 3.49 | 11.06 | -40.17 | 1 | 4 | 1 | 50 | 344.438 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.49 | 8.69 | -8.44 | 0 | 4 | 0 | 49 | 343.43 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.