| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 21 | Yes |
Popular Name: 5-[(2S,6S)-2,6-dimethylpiperazin-1-yl]sulfonylisoquinoline 5-[(2S,6S)-2,6-dimethylpiperazin…
| 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) | 1.27 | 3.39 | -51.55 | 2 | 5 | 1 | 67 | 306.411 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | 2.03 | -11.51 | 1 | 5 | 0 | 62 | 305.403 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
