| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 24 | Yes |
Popular Name: (3S)-N-[(1S)-1-cyano-3-methyl-butyl]-1-(2-morpholinoethyl)-5-oxo-pyrrolidine-3-carboxamide (3S)-N-[(1S)-1-cyano-3-methyl-bu…
| 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) | 0.57 | 3.45 | -16.33 | 1 | 7 | 0 | 86 | 336.436 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.57 | 5.71 | -46.35 | 2 | 7 | 1 | 87 | 337.444 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
