| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | No |
Popular Name: (1S,2R)-1-[(3S)-3-methylthiomorpholin-4-yl]-1-(3-thienyl)propan-2-amine (1S,2R)-1-[(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) | 1.44 | 3.72 | -45.28 | 3 | 2 | 1 | 31 | 257.448 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.44 | 3.43 | -2.57 | 2 | 2 | 0 | 29 | 256.44 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.44 | 5.38 | -114.52 | 4 | 2 | 2 | 32 | 258.456 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
