| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2005 | 28 | No |
Popular Name: CN1C(=O)C(=CN[C@@H](Cc2c[nH]c3c2cccc3)C(=O)OC)C(=O)N(C1=O)C CN1C(=O)C(=CN[C@@H](Cc2c[nH]c3c2…
| 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) | 0.78 | -1.35 | -13.34 | 1 | 9 | 0 | 112 | 384.392 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.78 | -0.19 | -36.97 | 2 | 9 | 1 | 113 | 385.4 | 6 | ↓ |
