| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 21 | Yes |
Popular Name: (3S)-1-[2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[2-(2-bromo-4-methyl-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) | 2.69 | 8.51 | -47.31 | 2 | 5 | 0 | 74 | 355.232 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.51 | 7.5 | -53.27 | 1 | 5 | -1 | 80 | 354.224 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
