| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 6th, 2011 | 19 | No |
Popular Name: (1S,2E,2S)-1-oxo-N-propyl-2-(3-pyridyl)thiane-2-carboximidothioic (1S,2E,2S)-1-oxo-N-propyl-2-(3-p…
| 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) | 0.80 | 4.85 | -10.66 | 1 | 3 | 0 | 42 | 296.461 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.76 | 5.13 | -16.1 | 1 | 3 | 0 | 44 | 296.461 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.76 | 4.1 | -9.85 | 1 | 3 | 0 | 44 | 296.461 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
