| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 23 | No |
Popular Name: (2R)-N-isobutyl-2-[(1-thiomorpholinocyclohexyl)methylamino]propanamide (2R)-N-isobutyl-2-[(1-thiomorpho…
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| 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) | 3.05 | 6.72 | -42.46 | 3 | 4 | 1 | 49 | 342.573 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.05 | 5.27 | -7.95 | 2 | 4 | 0 | 44 | 341.565 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.05 | 7.3 | -33.68 | 3 | 4 | 1 | 46 | 342.573 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.05 | 8.37 | -117.49 | 4 | 4 | 2 | 50 | 343.581 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
