| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | No |
Popular Name: 2-[(3S)-3-methylthiomorpholin-4-yl]-N-(2-thienylmethyl)ethanamine 2-[(3S)-3-methylthiomorpholin-4-…
| 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) | 2.14 | 5.7 | -44.65 | 2 | 2 | 1 | 20 | 257.448 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.14 | 4.36 | -3.22 | 1 | 2 | 0 | 15 | 256.44 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.14 | 6.38 | -36.7 | 2 | 2 | 1 | 16 | 257.448 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.14 | 7.72 | -122.95 | 3 | 2 | 2 | 21 | 258.456 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
