| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 21 | Yes |
Popular Name: (3S)-1-[2-(4-bromo-2-chloro-anilino)-2-oxo-ethyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[2-(4-bromo-2-chloro-anil…
| 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) | 2.92 | 8.32 | -49.7 | 2 | 5 | 0 | 74 | 375.65 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 7.38 | -51.77 | 1 | 5 | -1 | 80 | 374.642 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
