In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 21 | Yes |
Popular Name: 2-[2-dimethylaminoethyl(propyl)amino]-1-(3-fluoro-4-methoxy-phenyl)ethanone 2-[2-dimethylaminoethyl(propyl)a…
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) | 2.55 | 7.18 | -40.28 | 1 | 4 | 1 | 34 | 297.394 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.55 | 6.72 | -47.9 | 1 | 4 | 1 | 34 | 297.394 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.55 | 4.72 | -11.05 | 0 | 4 | 0 | 33 | 296.386 | 9 | ↓ |
Lo Low (pH 4.5-6) | 2.55 | 9.21 | -118.16 | 2 | 4 | 2 | 35 | 298.402 | 9 | ↓ |