| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 20 | Yes |
Popular Name: (6S,7S)-6-amino-1-propyl-7-(1,3,5-trimethylpyrazol-4-yl)azepan-2-one (6S,7S)-6-amino-1-propyl-7-(1,3,…
| 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) | 0.72 | 3.94 | -57.13 | 3 | 5 | 1 | 66 | 279.408 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.72 | 3.91 | -8.13 | 2 | 5 | 0 | 64 | 278.4 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
