In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 20th, 2011 | 24 | Yes |
Popular Name: 2-piperazineacetic acid, 3-oxo-1-[(3-oxo-2-piperazinyl)acetyl]-, propyl ester 2-piperazineacetic acid, 3-oxo-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) | -0.45 | 0.46 | -18.15 | 3 | 9 | 0 | 117 | 340.38 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.45 | 1.57 | -47.21 | 4 | 9 | 1 | 121 | 341.388 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.