In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 16th, 2010 | 20 | No |
Popular Name: 2-[2-oxo-2-[4-(3-thienylmethyl)piperazin-1-yl]ethoxy]acetic 2-[2-oxo-2-[4-(3-thienylmethyl)p…
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) | -0.23 | 5.33 | -56.85 | 0 | 6 | -1 | 73 | 297.356 | 6 | ↓ |
Mid Mid (pH 6-8) | -0.23 | 7.55 | -83.8 | 1 | 6 | 0 | 74 | 298.364 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.