| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 20 | Yes |
Popular Name: (3S)-3-ethyl-1-(4-isopropyl-3-oxo-pyrazin-2-yl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(4-isopropyl-3-ox…
| 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) | 1.04 | 7.28 | -51.92 | 0 | 6 | -1 | 78 | 278.332 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.04 | 8.05 | -51.56 | 1 | 6 | 0 | 79 | 279.34 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.04 | 7.67 | -47.22 | 1 | 6 | 0 | 80 | 279.34 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
