| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 21 | Yes |
Popular Name: 5-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]sulfonylpentanenitrile 5-[(3R)-3-pyrrolidin-1-ylazepan-…
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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) | 1.28 | 6.91 | -50.61 | 1 | 5 | 1 | 66 | 314.475 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | 4.46 | -13.38 | 0 | 5 | 0 | 64 | 313.467 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
