| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2010 | 21 | Yes |
Popular Name: (2S)-1-[3-(4-bromo-2-fluoro-anilino)-3-oxo-propyl]pyrrolidine-2-carboxamide (2S)-1-[3-(4-bromo-2-fluoro-anil…
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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) | 2.00 | 4.13 | -41.19 | 4 | 5 | 1 | 77 | 359.219 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.00 | 2.22 | -10.99 | 3 | 5 | 0 | 75 | 358.211 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
