| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2009 | 22 | Yes |
Popular Name: (2S)-2-[[4-(2-thienylsulfonyl)piperazin-1-yl]methyl]pentanedinitrile (2S)-2-[[4-(2-thienylsulfonyl)pi…
| 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) | 0.97 | 4.18 | -21.97 | 0 | 6 | 0 | 88 | 338.458 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.97 | 6.21 | -68.26 | 1 | 6 | 1 | 89 | 339.466 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
