| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 20 | Yes |
Popular Name: 4-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-4-oxo-butanoic 4-[(2S)-2-(1-methylpyrrol-2-yl)a…
| 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) | 1.67 | 9.08 | -48.73 | 0 | 5 | -1 | 65 | 277.344 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.67 | 7.1 | -9.05 | 1 | 5 | 0 | 63 | 278.352 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
