In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2010 | 26 | No |
Popular Name: (2E)-2-[2-methyl-6-(4-methylpiperazin-1-yl)benzo[c][2]benzazepin-11-ylidene]acetonitrile (2E)-2-[2-methyl-6-(4-methylpipe…
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) | 4.16 | 10.21 | -8.51 | 0 | 4 | 0 | 43 | 342.446 | 1 | ↓ |
Mid Mid (pH 6-8) | 4.16 | 12.59 | -43.3 | 1 | 4 | 1 | 44 | 343.454 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.