In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 18 | No |
Popular Name: (2R)-2-[[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]amino]propanoic (2R)-2-[[2-(4-acetylpiperazin-1-…
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) | -3.18 | 3.3 | -45.99 | 2 | 7 | 0 | 97 | 257.29 | 4 | ↓ |
Hi High (pH 8-9.5) | -3.18 | 2.14 | -56.24 | 1 | 7 | -1 | 93 | 256.282 | 4 | ↓ |