| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 18 | No |
Popular Name: N-[[(3S)-1-[(3R)-1,1-dioxothian-3-yl]pyrrolidin-3-yl]methyl]propan-1-amine N-[[(3S)-1-[(3R)-1,1-dioxothian-…
| 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) | 0.95 | 2.03 | -48.32 | 2 | 4 | 1 | 54 | 275.438 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.95 | 4.46 | -120.78 | 3 | 4 | 2 | 55 | 276.446 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
