| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 27 | Yes |
Popular Name: chloro-(4-ethylpiperazin-1-yl)-methyl-oxo-BLAHcarboxylic chloro-(4-ethylpiperazin-1-yl)-m…
None
| 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) | 2.24 | 13.11 | -103.95 | 1 | 6 | 0 | 70 | 389.883 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.24 | 10.89 | -65.2 | 0 | 6 | -1 | 69 | 388.875 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.50 | 10.19 | -78.06 | 2 | 6 | 1 | 73 | 390.891 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4416884 | IBM Patent Data |
