| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2005 | 36 | No |
Popular Name: CN(C/C=C/C(=O)Nc1cc2c(cc1OC3CCCC3)ncnc2Nc4ccc(c(c4)Cl)F)C5CC5 CN(C/C=C/C(=O)Nc1cc2c(cc1OC3CCCC…
| 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) | 5.88 | 14.75 | -46.56 | 3 | 7 | 1 | 81 | 511.021 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.88 | 12.27 | -10.05 | 2 | 7 | 0 | 79 | 510.013 | 9 | ↓ |
