| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 21 | Yes |
Popular Name: 2-(ethylamino)-2-methyl-1-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]propan-1-one 2-(ethylamino)-2-methyl-1-[(2S)-…
| 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) | 2.85 | 8.75 | -40.21 | 2 | 4 | 1 | 42 | 292.447 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.85 | 8.26 | -5.17 | 1 | 4 | 0 | 37 | 291.439 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
