| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2005 | 30 | Yes |
Popular Name: CCC[C@H]1C[C@H]2C=C(CCN2C1)c3c[nH]c(c3c4ccncc4)c5ccc(cc5)F CCC[C@H]1C[C@H]2C=C(CCN2C1)c3c[n…
| 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) | 6.27 | 2.09 | -39.57 | 2 | 3 | 1 | 33 | 402.537 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 6.27 | 2.2 | -88.94 | 3 | 3 | 2 | 34 | 403.545 | 5 | ↓ |
