| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2011 | 24 | Yes |
Popular Name: (S)-N-((1R,2R)-2-(4-methylbenzamido)cyclohexyl)pyrrolidine-2-carboxamide (S)-N-((1R,2R)-2-(4-methylbenzam…
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CAS Number: 868694-81-9
| 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) | 2.25 | 6.38 | -42.9 | 4 | 5 | 1 | 75 | 330.452 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.25 | 5.13 | -12.85 | 3 | 5 | 0 | 70 | 329.444 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
