| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 20 | Yes |
Popular Name: 2-methyl-2-(methylamino)-1-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]propan-1-one 2-methyl-2-(methylamino)-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) | 2.48 | 7.84 | -43.59 | 2 | 4 | 1 | 42 | 278.42 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.48 | 7.49 | -6.56 | 1 | 4 | 0 | 37 | 277.412 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
