| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 4th, 2011 | 23 | Yes |
Popular Name: (4-tert-butyl-1,4-diazepan-1-yl)-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)methanone (4-tert-butyl-1,4-diazepan-1-yl)…
None
| 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) | 2.35 | 10.65 | -34.48 | 1 | 4 | 1 | 30 | 320.501 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.35 | 8.98 | -9.08 | 0 | 4 | 0 | 28 | 319.493 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
