| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 24 | No |
Popular Name: N-isobutyl-N'-[(2S)-2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]oxamide N-isobutyl-N'-[(2S)-2-(4-methylp…
| 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) | 0.74 | 3.85 | -39.54 | 3 | 6 | 1 | 66 | 353.512 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.74 | 3.64 | -40.1 | 3 | 6 | 1 | 66 | 353.512 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.74 | 1.38 | -5.91 | 2 | 6 | 0 | 65 | 352.504 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
