| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 23 | No |
Popular Name: N-isopropyl-N'-[(2S)-2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]oxamide N-isopropyl-N'-[(2S)-2-(4-methyl…
| 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) | 0.29 | 3.14 | -39.63 | 3 | 6 | 1 | 66 | 339.485 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.29 | 2.93 | -40 | 3 | 6 | 1 | 66 | 339.485 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.29 | 0.67 | -6.39 | 2 | 6 | 0 | 65 | 338.477 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
