In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 21 | No |
Popular Name: 3-[4-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]piperazin-1-yl]propanoic 3-[4-[2-[(3R)-1,1-dioxothiolan-3…
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) | -0.75 | 4.26 | -67.89 | 1 | 7 | 0 | 99 | 318.395 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.75 | 2.05 | -60.2 | 0 | 7 | -1 | 98 | 317.387 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.