In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2011 | 19 | Yes |
Popular Name: (6R,7S)-6-amino-1-isobutyl-7-(1-methylpyrazol-4-yl)azepan-2-one (6R,7S)-6-amino-1-isobutyl-7-(1-…
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) | 0.52 | 3.97 | -54.44 | 3 | 5 | 1 | 66 | 265.381 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.52 | 3.73 | -10.54 | 2 | 5 | 0 | 64 | 264.373 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.