| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2005 | 37 | No |
Popular Name: c1ccc(cc1)c2cc(nc(c2C#N)SCC(=O)N/N=C\c3cc(ccc3O)[N+](=O)[O-])c4ccccc4 c1ccc(cc1)c2cc(nc(c2C#N)SCC(=O)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) | 5.91 | 0.42 | -38.88 | 1 | 9 | -1 | 147 | 508.539 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 5.91 | 0.6 | -47.33 | 2 | 9 | 0 | 148 | 509.547 | 8 | ↓ |
