| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2005 | 34 | Yes |
Popular Name: CC(C)(C)C[C@@H](C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)c2ccccn2)NC(=O)c3cccs3 CC(C)(C)C[C@@H](C(=O)N[C@H]1CCCN…
| 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) | 1.86 | 5.72 | -18.43 | 2 | 9 | 0 | 126 | 506.65 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.86 | 6.12 | -48.6 | 3 | 9 | 1 | 127 | 507.658 | 8 | ↓ |
