| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2010 | 22 | Yes |
Popular Name: N-(3-chloro-4-cyano-phenyl)-3-(4-ethylpiperazin-1-yl)propanamide N-(3-chloro-4-cyano-phenyl)-3-(4…
| 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) | 2.04 | 6.39 | -49.28 | 2 | 5 | 1 | 61 | 321.832 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 6.4 | -43.48 | 2 | 5 | 1 | 61 | 321.832 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 4.13 | -9.96 | 1 | 5 | 0 | 59 | 320.824 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
