| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2005 | 35 | Yes |
Popular Name: Cc1ccc(s1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@H]2CCCN(CC2=O)S(=O)(=O)c3ccccn3 Cc1ccc(s1)C(=O)N[C@@H](CC(C)(C)C…
| 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) | 2.08 | 6.57 | -18.81 | 2 | 9 | 0 | 126 | 520.677 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.08 | 6.97 | -49.04 | 3 | 9 | 1 | 127 | 521.685 | 8 | ↓ |
