| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 28th, 2011 | 25 | Yes |
Popular Name: (2S)-2-(3,4-dichlorophenyl)-3-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]butanamide (2S)-2-(3,4-dichlorophenyl)-3-me…
| 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) | 3.13 | 8.78 | -45.72 | 2 | 5 | 1 | 54 | 387.331 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.13 | 6.42 | -7.73 | 1 | 5 | 0 | 53 | 386.323 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
