| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 19th, 2009 | 18 | Yes |
Popular Name: N-(2-cyanoethyl)-3-(4-ethylpiperazin-1-yl)-N-methyl-propanamide N-(2-cyanoethyl)-3-(4-ethylpiper…
| 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) | -0.31 | 5.3 | -44.55 | 1 | 5 | 1 | 52 | 253.37 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.31 | 3.03 | -12.02 | 0 | 5 | 0 | 51 | 252.362 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.31 | 5.3 | -47.13 | 1 | 5 | 1 | 52 | 253.37 | 6 | ↓ |
