In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 25 | Yes |
Popular Name: 2-(2,4-dichlorophenoxy)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide 2-(2,4-dichlorophenoxy)-N-[(2R)-…
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) | 3.42 | 9.83 | -49.33 | 2 | 5 | 1 | 46 | 389.347 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.42 | 5.39 | -11.41 | 1 | 5 | 0 | 45 | 388.339 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.42 | 8.35 | -46.19 | 2 | 5 | 1 | 46 | 389.347 | 7 | ↓ |