| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 4th, 2011 | 22 | Yes |
Popular Name: 1-[5-(4-tert-butyl-1,4-diazepane-1-carbonyl)-1-methyl-pyrrol-3-yl]ethanone 1-[5-(4-tert-butyl-1,4-diazepane…
| 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) | 1.77 | 8.74 | -39.13 | 1 | 5 | 1 | 47 | 306.43 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 7.13 | -12.03 | 0 | 5 | 0 | 46 | 305.422 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
