| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2005 | 28 | Yes |
Popular Name: C[C@H]1C[C@H]2C=C(CCN2C1)c3c[nH]c(c3c4ccncc4)c5ccc(cc5)F C[C@H]1C[C@H]2C=C(CCN2C1)c3c[nH]…
| 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) | 5.21 | 1.81 | -38.5 | 2 | 3 | 1 | 33 | 374.483 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 5.21 | 1.92 | -87.34 | 3 | 3 | 2 | 34 | 375.491 | 3 | ↓ |
