In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2010 | 20 | Yes |
Popular Name: 2-fluoro-5-(4-prop-2-ynylpiperazin-1-yl)sulfonyl-aniline 2-fluoro-5-(4-prop-2-ynylpiperaz…
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) | 0.88 | 1.26 | -9.27 | 2 | 5 | 0 | 67 | 297.355 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.88 | 3.52 | -45.71 | 3 | 5 | 1 | 68 | 298.363 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.