| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 5th, 2011 | 18 | No |
Popular Name: 4-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]butanenitrile 4-[(2S)-2-(thiomorpholine-4-carb…
| 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) | 0.20 | 7.76 | -50.77 | 1 | 4 | 1 | 49 | 268.406 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.20 | 5.73 | -15.41 | 0 | 4 | 0 | 47 | 267.398 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
