In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2008 | 27 | Yes |
Popular Name: 3-acetamido-4-[4-(2-butylamino-2-oxo-ethyl)piperazin-1-yl]benzoic 3-acetamido-4-[4-(2-butylamino-2…
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) | 2.03 | 5.42 | -102.89 | 3 | 8 | 0 | 106 | 376.457 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.03 | 3.19 | -71.35 | 2 | 8 | -1 | 105 | 375.449 | 8 | ↓ |