| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 27 | No |
Popular Name: N'-(3-chloro-4-cyano-phenyl)-N-[4-(N-methylanilino)butyl]oxamide N'-(3-chloro-4-cyano-phenyl)-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) | 2.85 | 7.92 | -10.33 | 2 | 6 | 0 | 85 | 384.867 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 7.12 | -38.56 | 1 | 6 | -1 | 92 | 383.859 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.85 | 8.35 | -80.95 | 3 | 6 | 0 | 86 | 385.875 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
