| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 21 | Yes |
Popular Name: 5-[(2S)-2-(1-piperidylmethyl)pyrrolidin-1-yl]sulfonylpentanenitrile 5-[(2S)-2-(1-piperidylmethyl)pyr…
None
None
| 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 | 7.21 | -51.25 | 1 | 5 | 1 | 66 | 314.475 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | 5.13 | -14.74 | 0 | 5 | 0 | 64 | 313.467 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
