| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 25 | Yes |
Popular Name: [(2S)-1-propylsulfonylpyrrolidin-2-yl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone [(2S)-1-propylsulfonylpyrrolidin…
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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) | 1.42 | 4.63 | -11.73 | 0 | 6 | 0 | 61 | 385.452 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.42 | 5.92 | -54.04 | 1 | 6 | 1 | 62 | 386.46 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
