| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 13 | No |
Popular Name: (3S,4R)-4-[(3S)-3-methylthiomorpholin-4-yl]pyrrolidin-3-ol (3S,4R)-4-[(3S)-3-methylthiomorp…
| 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) | 0.05 | 0.05 | -44.28 | 3 | 3 | 1 | 40 | 203.331 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.05 | -1.4 | -2.87 | 2 | 3 | 0 | 35 | 202.323 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.05 | 0.68 | -30.4 | 3 | 3 | 1 | 37 | 203.331 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.05 | 2.14 | -109.71 | 4 | 3 | 2 | 41 | 204.339 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
