| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | No |
Popular Name: (5-hydroxy-3-pyridyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (5-hydroxy-3-pyridyl)-[(3S)-3-me…
| 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) | 0.31 | 3.34 | -20.64 | 1 | 4 | 0 | 58 | 238.312 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.31 | 2.78 | -42.5 | 0 | 4 | -1 | 56 | 237.304 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.31 | 2.02 | -7.88 | 1 | 4 | 0 | 53 | 238.312 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
