| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2005 | 31 | Yes |
Popular Name: [H]/N=C(/c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl)\N [H]/N=C(/c1cc(ccn1)Oc2ccc(cc2)NC…
| 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) | 3.95 | -2.52 | -40.39 | 6 | 7 | 1 | 114 | 450.828 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.95 | -2.26 | -110.15 | 7 | 7 | 2 | 116 | 451.836 | 6 | ↓ |
