| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 19th, 2011 | 21 | Yes |
Popular Name: (2S)-1-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-1,4-diazepan-5-one (2S)-1-[(4-imidazol-1-ylphenyl)m…
| 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) | 0.64 | 5.77 | -12.8 | 1 | 5 | 0 | 50 | 284.363 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.64 | 8.23 | -94.97 | 3 | 5 | 2 | 53 | 286.379 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.64 | 7.71 | -54.73 | 2 | 5 | 1 | 51 | 285.371 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
