| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2011 | 21 | Yes |
Popular Name: 2-(azepan-1-yl)-1-(1-tert-butyl-2,5-dimethyl-pyrrol-3-yl)ethanone 2-(azepan-1-yl)-1-(1-tert-butyl-…
| 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) | 3.44 | 11.06 | -32.69 | 1 | 3 | 1 | 26 | 291.459 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.44 | 9.17 | -6.39 | 0 | 3 | 0 | 25 | 290.451 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
