| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 26th, 2009 | 17 | No |
Popular Name: (3R,4S)-1,1-dioxo-4-[[(1S)-1-(2-pyridyl)ethyl]amino]thiolan-3-ol (3R,4S)-1,1-dioxo-4-[[(1S)-1-(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) | -0.51 | -0.55 | -46.7 | 3 | 5 | 1 | 84 | 257.335 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.51 | -1.85 | -14.17 | 2 | 5 | 0 | 79 | 256.327 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.51 | -0.01 | -33.04 | 2 | 5 | 0 | 87 | 256.327 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
