| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | No |
Popular Name: (1R)-2-[(3S)-3-methylthiomorpholin-4-yl]-1-phenyl-ethanamine (1R)-2-[(3S)-3-methylthiomorphol…
| 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) | 0.17 | 5.28 | -44.53 | 3 | 2 | 1 | 31 | 237.392 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.17 | 4.86 | -2.91 | 2 | 2 | 0 | 29 | 236.384 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.17 | 6.42 | -38.49 | 3 | 2 | 1 | 30 | 237.392 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.17 | 6.67 | -124.7 | 4 | 2 | 2 | 32 | 238.4 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
