| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2008 | 21 | No |
Popular Name: N-(4-chloro-2-nitro-phenyl)-2-(3-oxopiperazin-1-yl)acetamide N-(4-chloro-2-nitro-phenyl)-2-(3…
| 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) | 1.55 | 4.33 | -57.62 | 3 | 8 | 1 | 108 | 313.721 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.55 | 2.13 | -14.33 | 2 | 8 | 0 | 107 | 312.713 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | 1.44 | -41.7 | 1 | 8 | -1 | 114 | 311.705 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | 3.75 | -39.49 | 2 | 8 | 0 | 115 | 312.713 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
