In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 26th, 2011 | 21 | Yes |
Popular Name: 3-(diethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one 3-(diethylamino)-1-(4-propylsulf…
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) | 0.86 | 5.27 | -48.85 | 1 | 6 | 1 | 62 | 320.479 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.86 | 3.14 | -14.71 | 0 | 6 | 0 | 61 | 319.471 | 8 | ↓ |