| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 26th, 2011 | 28 | No |
Popular Name: (2S)-N-benzyl-2-cyano-7-(2,5-dimethylphenoxy)-3-oxo-heptanamide (2S)-N-benzyl-2-cyano-7-(2,5-dim…
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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) | 4.28 | 11.25 | -41.79 | 1 | 5 | -1 | 85 | 377.464 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.69 | 12.33 | -17.21 | 1 | 5 | 0 | 79 | 378.472 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.69 | 12.35 | -16.99 | 1 | 5 | 0 | 79 | 378.472 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
