| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 20 | No |
Popular Name: (3S)-1,1-dioxo-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-3-amine (3S)-1,1-dioxo-N-[[(3S)-1-(2,2,2…
| 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) | 1.35 | 1.72 | -62.18 | 2 | 4 | 1 | 54 | 315.381 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.35 | 0.52 | -12.58 | 1 | 4 | 0 | 49 | 314.373 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
