In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 29 | Yes |
Popular Name: 1-ethyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one 1-ethyl-7-[3-(4-phenylpiperazin-…
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) | 3.50 | 12.48 | -50.53 | 1 | 5 | 1 | 37 | 394.539 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.50 | 10.28 | -10.23 | 0 | 5 | 0 | 36 | 393.531 | 7 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US4734416 | IBM Patent Data |