| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 34 | Yes |
Popular Name: (2S)-2-phenyl-2-[4-(9,10,10-trioxothioxanthene-3-carbonyl)piperazin-1-yl]acetonitrile (2S)-2-phenyl-2-[4-(9,10,10-trio…
| 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) | 2.58 | 7.95 | -18.51 | 0 | 7 | 0 | 99 | 471.538 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.58 | 9.87 | -60.45 | 1 | 7 | 1 | 100 | 472.546 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
