| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 26 | No |
Popular Name: (2S)-N-(isobutylcarbamoyl)-2-[(1-thiomorpholinocyclohexyl)methylamino]propanamide (2S)-N-(isobutylcarbamoyl)-2-[(1…
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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) | 2.70 | 6.88 | -54.79 | 4 | 6 | 1 | 78 | 385.598 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 5.41 | -16.48 | 3 | 6 | 0 | 73 | 384.59 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.70 | 7.43 | -44.38 | 4 | 6 | 1 | 75 | 385.598 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
